methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate

C26H27NO5 — CID 70332630

IUPACmethyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate
SMILESCCc1ccc(Oc2cccc(OC)c2)c(C(=O)N[C@@H](C)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C26H27NO5/c1-5-18-9-14-24(32-22-8-6-7-21(16-22)30-3)23(15-18)25(28)27-17(2)19-10-12-20(13-11-19)26(29)31-4/h6-17H,5H2,1-4H3,(H,27,28)/t17-/m0/s1
InChIKeyJJUYHKYUNMUASM-KRWDZBQOSA-N
MW433.50 g/mol
LogP5.33
Rot. Bonds8

About methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate

methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate (PubChem CID 70332630) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate
PubChem CID70332630
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Namemethyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate
SMILESCCc1ccc(Oc2cccc(OC)c2)c(C(=O)N[C@@H](C)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C26H27NO5/c1-5-18-9-14-24(32-22-8-6-7-21(16-22)30-3)23(15-18)25(28)27-17(2)19-10-12-20(13-11-19)26(29)31-4/h6-17H,5H2,1-4H3,(H,27,28)/t17-/m0/s1
InChIKeyJJUYHKYUNMUASM-KRWDZBQOSA-N
XLogP5.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate with MolForge

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Related Compounds

5-chloro-2-(3-fluorophenoxy)benzoic acid;methyl 4-[(1S)-1-aminoethyl]benzoate;methyl 4-[(1S)-1-[[5-chloro-2-(3-fluorophenoxy)benzoyl]amino]ethyl]benzoate
CID 158637279
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
4-[1-[[5-chloro-2-(3-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid
CID 73016543
methyl 4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate
CID 69419054
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 51164410
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881831

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate (CID 70332630) is methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate is CCc1ccc(Oc2cccc(OC)c2)c(C(=O)N[C@@H](C)c2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate?
The InChIKey is JJUYHKYUNMUASM-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H27NO5/c1-5-18-9-14-24(32-22-8-6-7-21(16-22)30-3)23(15-18)25(28)27-17(2)19-10-12-20(13-11-19)26(29)31-4/h6-17H,5H2,1-4H3,(H,27,28)/t17-/m0/s1.
What are the key properties of methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate?
methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate has a molecular weight of 433.50 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1S)-1-[[5-ethyl-2-(3-methoxyphenoxy)benzoyl]amino]ethyl]benzoate is sourced from PubChem (CID 70332630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).