diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate

C24H26N2O6 — CID 154727047

IUPACdiethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)Cc1cc2cccc(OCc3ccccc3)c2[nH]1)C(=O)OCC
InChIInChI=1S/C24H26N2O6/c1-3-30-23(28)22(24(29)31-4-2)26-20(27)14-18-13-17-11-8-12-19(21(17)25-18)32-15-16-9-6-5-7-10-16/h5-13,22,25H,3-4,14-15H2,1-2H3,(H,26,27)
InChIKeyGQPFTITXLICKNB-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.90
Rot. Bonds10

About diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate

diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate (PubChem CID 154727047) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate
PubChem CID154727047
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Namediethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)Cc1cc2cccc(OCc3ccccc3)c2[nH]1)C(=O)OCC
InChIInChI=1S/C24H26N2O6/c1-3-30-23(28)22(24(29)31-4-2)26-20(27)14-18-13-17-11-8-12-19(21(17)25-18)32-15-16-9-6-5-7-10-16/h5-13,22,25H,3-4,14-15H2,1-2H3,(H,26,27)
InChIKeyGQPFTITXLICKNB-UHFFFAOYSA-N
XLogP2.90
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate 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

[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
CID 171251115
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(2S)-2-amino-N-[1-(2-hydroxy-3-phenylmethoxyphenyl)pentan-3-yl]-4-phenylbutanamide
CID 57111343
ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate
CID 102039959
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
ethyl 2-amino-3-[2-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 170885850
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate?
The IUPAC name of diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate (CID 154727047) is diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate.
What is the SMILES notation for diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate?
The canonical SMILES for diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate is CCOC(=O)C(NC(=O)Cc1cc2cccc(OCc3ccccc3)c2[nH]1)C(=O)OCC.
What is the InChIKey of diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate?
The InChIKey is GQPFTITXLICKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-3-30-23(28)22(24(29)31-4-2)26-20(27)14-18-13-17-11-8-12-19(21(17)25-18)32-15-16-9-6-5-7-10-16/h5-13,22,25H,3-4,14-15H2,1-2H3,(H,26,27).
What are the key properties of diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate?
diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate has a molecular weight of 438.48 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate is sourced from PubChem (CID 154727047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).