ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate

C23H23N3O4 — CID 58328161

IUPACethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate
SMILESCCOC(=O)n1ccc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc21
InChIInChI=1S/C23H23N3O4/c1-3-30-23(29)26-11-10-15-6-7-17(13-20(15)26)22(28)25-19-12-16(5-4-14(19)2)21(27)24-18-8-9-18/h4-7,10-13,18H,3,8-9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySNCXIBOVAVIFGA-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.10
Rot. Bonds5

About ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate

ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate (PubChem CID 58328161) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate
PubChem CID58328161
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Nameethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate
SMILESCCOC(=O)n1ccc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc21
InChIInChI=1S/C23H23N3O4/c1-3-30-23(29)26-11-10-15-6-7-17(13-20(15)26)22(28)25-19-12-16(5-4-14(19)2)21(27)24-18-8-9-18/h4-7,10-13,18H,3,8-9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySNCXIBOVAVIFGA-UHFFFAOYSA-N
XLogP4.10
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate 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

3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490
3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
CID 58328258
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
CID 59234662
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
CID 55786011
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate?
The IUPAC name of ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate (CID 58328161) is ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate.
What is the SMILES notation for ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate?
The canonical SMILES for ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate is CCOC(=O)n1ccc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc21.
What is the InChIKey of ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate?
The InChIKey is SNCXIBOVAVIFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-30-23(29)26-11-10-15-6-7-17(13-20(15)26)22(28)25-19-12-16(5-4-14(19)2)21(27)24-18-8-9-18/h4-7,10-13,18H,3,8-9H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate?
ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate is sourced from PubChem (CID 58328161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).