N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide

C21H23N3O2 — CID 171141615

IUPACN-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCCC(C)NC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-14(3)22-21(26)19-18(16-10-5-6-11-17(16)23-19)24-20(25)15-9-7-8-13(2)12-15/h5-12,14,23H,4H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyIBMFFTTZODHLJH-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.26
Rot. Bonds5

About N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide

N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide (PubChem CID 171141615) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
PubChem CID171141615
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCCC(C)NC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-14(3)22-21(26)19-18(16-10-5-6-11-17(16)23-19)24-20(25)15-9-7-8-13(2)12-15/h5-12,14,23H,4H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyIBMFFTTZODHLJH-UHFFFAOYSA-N
XLogP4.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide 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

N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 53013364
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
CID 46391981
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
CID 109051527
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391848

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide (CID 171141615) is N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide is CCC(C)NC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1.
What is the InChIKey of N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The InChIKey is IBMFFTTZODHLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-14(3)22-21(26)19-18(16-10-5-6-11-17(16)23-19)24-20(25)15-9-7-8-13(2)12-15/h5-12,14,23H,4H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 171141615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).