ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate

C34H30N4O5 — CID 101132825

IUPACethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C34H30N4O5/c1-2-43-34(42)30(20-22-12-4-3-5-13-22)38-32(40)24-15-7-10-18-27(24)36-31(39)25-16-8-11-19-28(25)37-33(41)29-21-23-14-6-9-17-26(23)35-29/h3-19,21,30,35H,2,20H2,1H3,(H,36,39)(H,37,41)(H,38,40)
InChIKeyPPAKRRKFMZRIOO-UHFFFAOYSA-N
MW574.64 g/mol
LogP5.58
Rot. Bonds10

About ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate

ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate (PubChem CID 101132825) has the molecular formula C34H30N4O5 and a molecular weight of 574.64 g/mol. Its IUPAC name is ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
PubChem CID101132825
Molecular FormulaC34H30N4O5
Molecular Weight574.64 g/mol
Exact Mass574.22
IUPAC Nameethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C34H30N4O5/c1-2-43-34(42)30(20-22-12-4-3-5-13-22)38-32(40)24-15-7-10-18-27(24)36-31(39)25-16-8-11-19-28(25)37-33(41)29-21-23-14-6-9-17-26(23)35-29/h3-19,21,30,35H,2,20H2,1H3,(H,36,39)(H,37,41)(H,38,40)
InChIKeyPPAKRRKFMZRIOO-UHFFFAOYSA-N
XLogP5.58
TPSA129.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 55.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 44591981
ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 11431698
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
ethyl 2-[(6-chloro-5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 166376573
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-methylbutanoic acid
CID 44592485
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
methyl (2R)-2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoate
CID 87055155
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(2-nitrophenyl)propanoic acid
CID 11305968
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate (CID 101132825) is ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate?
The InChIKey is PPAKRRKFMZRIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O5/c1-2-43-34(42)30(20-22-12-4-3-5-13-22)38-32(40)24-15-7-10-18-27(24)36-31(39)25-16-8-11-19-28(25)37-33(41)29-21-23-14-6-9-17-26(23)35-29/h3-19,21,30,35H,2,20H2,1H3,(H,36,39)(H,37,41)(H,38,40).
What are the key properties of ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate?
ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate has a molecular weight of 574.64 g/mol, XLogP of 5.58, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 101132825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).