N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide

C22H25N3O3 — CID 46391803

IUPACN-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCOCCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O3/c1-14-5-8-16(9-6-14)21(26)25-19-17-13-15(2)7-10-18(17)24-20(19)22(27)23-11-4-12-28-3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyBFDOQKJDSZMNCW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.80
Rot. Bonds7

About N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide

N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide (PubChem CID 46391803) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
PubChem CID46391803
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCOCCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O3/c1-14-5-8-16(9-6-14)21(26)25-19-17-13-15(2)7-10-18(17)24-20(19)22(27)23-11-4-12-28-3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyBFDOQKJDSZMNCW-UHFFFAOYSA-N
XLogP3.80
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
CID 50834469
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
CID 53367407
3-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 46391875
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 46391849
N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391848
N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20873099
methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
CID 946980
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391919
1-N-(3-methoxypropyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109052749
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide (CID 46391803) is N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide is COCCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The InChIKey is BFDOQKJDSZMNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-5-8-16(9-6-14)21(26)25-19-17-13-15(2)7-10-18(17)24-20(19)22(27)23-11-4-12-28-3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 46391803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).