(E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate

C143H170N8O22 — CID 157167177

IUPAC(E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate
SMILESCCc1ccc(CCc2ccccc2OCC(CN(C)C)OC(=O)/C=C/C(=O)O)cc1.CCc1ccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)/C=C/C(=O)O)cc1.COc1ccc(CCc2ccccc2OCC(CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1.COc1ccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1.COc1ccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1
InChIInChI=1S/3C31H36N2O4.2C25H31NO5/c3*1-33(2)20-28(37-31(34)30(32)26-18-24-9-4-5-10-25(24)19-26)21-36-29-11-7-6-8-23(29)15-12-22-13-16-27(35-3)17-14-22;2*1-4-19-9-11-20(12-10-19)13-14-21-7-5-6-8-23(21)30-18-22(17-26(2)3)31-25(29)16-15-24(27)28/h3*4-11,13-14,16-18,28,30H,12,15,19-21,32H2,1-3H3;2*5-12,15-16,22H,4,13-14,17-18H2,1-3H3,(H,27,28)/b;;;2*16-15+/t28?,30-;28-,30+;28-,30-;22-;/m1011./s1
InChIKeyANAZWIATIRXOSI-MUENJUOXSA-N
MW2352.97 g/mol
LogP19.95
Rot. Bonds60

About (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate

(E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate (PubChem CID 157167177) has the molecular formula C143H170N8O22 and a molecular weight of 2352.97 g/mol. Its IUPAC name is (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate.

Molecular Properties

Compound Name(E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate
PubChem CID157167177
Molecular FormulaC143H170N8O22
Molecular Weight2352.97 g/mol
Exact Mass2351.24
IUPAC Name(E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate
SMILESCCc1ccc(CCc2ccccc2OCC(CN(C)C)OC(=O)/C=C/C(=O)O)cc1.CCc1ccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)/C=C/C(=O)O)cc1.COc1ccc(CCc2ccccc2OCC(CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1.COc1ccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1.COc1ccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1
InChIInChI=1S/3C31H36N2O4.2C25H31NO5/c3*1-33(2)20-28(37-31(34)30(32)26-18-24-9-4-5-10-25(24)19-26)21-36-29-11-7-6-8-23(29)15-12-22-13-16-27(35-3)17-14-22;2*1-4-19-9-11-20(12-10-19)13-14-21-7-5-6-8-23(21)30-18-22(17-26(2)3)31-25(29)16-15-24(27)28/h3*4-11,13-14,16-18,28,30H,12,15,19-21,32H2,1-3H3;2*5-12,15-16,22H,4,13-14,17-18H2,1-3H3,(H,27,28)/b;;;2*16-15+/t28?,30-;28-,30+;28-,30-;22-;/m1011./s1
InChIKeyANAZWIATIRXOSI-MUENJUOXSA-N
XLogP19.95
TPSA374.20 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds60
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.97
LogP ≤ 519.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate
CID 157419257
(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid
CID 138717294
(E)-4-[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid
CID 138717295
2-[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-2-oxoacetic acid
CID 160583452
[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] propanoate
CID 138717305
[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] pentanoate
CID 138717473
6-[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-6-oxohexanoic acid;6-[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-6-oxohexanoic acid;6-[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-6-oxohexanoic acid
CID 161271642
6-[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-6-oxohexanoic acid
CID 138717265
[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] hexanoate
CID 138717362
7-[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-7-oxoheptanoic acid
CID 138717267
3-[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxycarbonylbenzoic acid
CID 138717180
[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (4S)-4-amino-4-methylsulfanylbutanoate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (4S)-4-amino-4-methylsulfanylbutanoate;2-[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxycarbonylbenzoic acid;2-[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxycarbonylbenzoic acid
CID 161329068

Frequently Asked Questions

What is the IUPAC name of (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate?
The IUPAC name of (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate (CID 157167177) is (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate.
What is the SMILES notation for (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate?
The canonical SMILES for (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate is CCc1ccc(CCc2ccccc2OCC(CN(C)C)OC(=O)/C=C/C(=O)O)cc1.CCc1ccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)/C=C/C(=O)O)cc1.COc1ccc(CCc2ccccc2OCC(CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1.COc1ccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1.COc1ccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)[C@H](N)C2=Cc3ccccc3C2)cc1.
What is the InChIKey of (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate?
The InChIKey is ANAZWIATIRXOSI-MUENJUOXSA-N. The full InChI is InChI=1S/3C31H36N2O4.2C25H31NO5/c3*1-33(2)20-28(37-31(34)30(32)26-18-24-9-4-5-10-25(24)19-26)21-36-29-11-7-6-8-23(29)15-12-22-13-16-27(35-3)17-14-22;2*1-4-19-9-11-20(12-10-19)13-14-21-7-5-6-8-23(21)30-18-22(17-26(2)3)31-25(29)16-15-24(27)28/h3*4-11,13-14,16-18,28,30H,12,15,19-21,32H2,1-3H3;2*5-12,15-16,22H,4,13-14,17-18H2,1-3H3,(H,27,28)/b;;;2*16-15+/t28?,30-;28-,30+;28-,30-;22-;/m1011./s1.
What are the key properties of (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate?
(E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate has a molecular weight of 2352.97 g/mol, XLogP of 19.95, 60 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;(E)-4-[(2R)-1-(dimethylamino)-3-[2-[2-(4-ethylphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobut-2-enoic acid;[1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2R)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate;[(2S)-1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-yl] (2R)-2-amino-2-(1H-inden-2-yl)acetate is sourced from PubChem (CID 157167177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).