ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate

C28H27N3O4 — CID 53465845

IUPACethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate
SMILESCCOC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H27N3O4/c1-2-35-28(34)24(17-16-19-10-4-3-5-11-19)31-26(32)21-13-7-9-15-23(21)30-27(33)25-18-20-12-6-8-14-22(20)29-25/h3-15,18,24,29H,2,16-17H2,1H3,(H,30,33)(H,31,32)
InChIKeySFVWSGBMIVQXIR-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.71
Rot. Bonds9

About ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate

ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate (PubChem CID 53465845) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate
PubChem CID53465845
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Nameethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate
SMILESCCOC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H27N3O4/c1-2-35-28(34)24(17-16-19-10-4-3-5-11-19)31-26(32)21-13-7-9-15-23(21)30-27(33)25-18-20-12-6-8-14-22(20)29-25/h3-15,18,24,29H,2,16-17H2,1H3,(H,30,33)(H,31,32)
InChIKeySFVWSGBMIVQXIR-UHFFFAOYSA-N
XLogP4.71
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate 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

Rhetsinine
CID 99652
N-Benzyl-1H-indole-2-carboxamide
CID 8023988
(2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-indol-2-ylformamido)-4-methylpentanamide
CID 23648426
(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 9848710
N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 12627221
N-Benzyl,N-methyl-1H-indole-2-carboxamide
CID 23020609
N-(3-Phenylpropyl)-1H-indole-2-carboxamide
CID 27647057
N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-1H-indole-2-carboxamide
CID 9802550
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]indole-2-carboxamide
CID 58355366
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
methyl (1R,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 736464

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate?
The IUPAC name of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate (CID 53465845) is ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate.
What is the SMILES notation for ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate?
The canonical SMILES for ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate is CCOC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate?
The InChIKey is SFVWSGBMIVQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-2-35-28(34)24(17-16-19-10-4-3-5-11-19)31-26(32)21-13-7-9-15-23(21)30-27(33)25-18-20-12-6-8-14-22(20)29-25/h3-15,18,24,29H,2,16-17H2,1H3,(H,30,33)(H,31,32).
What are the key properties of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate?
ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate has a molecular weight of 469.54 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoate is sourced from PubChem (CID 53465845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).