ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate

C28H27N3O5 — CID 11431698

IUPACethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H27N3O5/c1-3-36-28(34)25(16-18-12-14-20(35-2)15-13-18)31-26(32)21-9-5-7-11-23(21)30-27(33)24-17-19-8-4-6-10-22(19)29-24/h4-15,17,25,29H,3,16H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyYORWLSRKSVXKDX-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.33
Rot. Bonds9

About ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate

ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 11431698) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
PubChem CID11431698
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Nameethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H27N3O5/c1-3-36-28(34)25(16-18-12-14-20(35-2)15-13-18)31-26(32)21-9-5-7-11-23(21)30-27(33)24-17-19-8-4-6-10-22(19)29-24/h4-15,17,25,29H,3,16H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyYORWLSRKSVXKDX-UHFFFAOYSA-N
XLogP4.33
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 44591981
ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
CID 101132825
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 44592009
2-[[2-[(5-methyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 45482486
benzyl N-[1-[2-(1H-indole-2-carbonyl)hydrazinyl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 15453070
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-methylbutanoic acid
CID 44592485
N-[(2R)-3-(4-hydroxyphenyl)-1-(3-methylanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112073
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
ethyl 2-[(6-chloro-5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 166376573
N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 3123999
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate (CID 11431698) is ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate is CCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is YORWLSRKSVXKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-3-36-28(34)25(16-18-12-14-20(35-2)15-13-18)31-26(32)21-9-5-7-11-23(21)30-27(33)24-17-19-8-4-6-10-22(19)29-24/h4-15,17,25,29H,3,16H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 485.54 g/mol, XLogP of 4.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 11431698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).