N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide

C22H25N3O2 — CID 87036364

IUPACN-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2ccccc2C(=O)N(C)C)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-15(2)13-25-14-18(16-9-6-8-12-20(16)25)21(26)23-19-11-7-5-10-17(19)22(27)24(3)4/h5-12,14-15H,13H2,1-4H3,(H,23,26)
InChIKeyOAIHMEIMJCKZOL-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.25
Rot. Bonds5

About N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide

N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide (PubChem CID 87036364) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
PubChem CID87036364
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2ccccc2C(=O)N(C)C)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-15(2)13-25-14-18(16-9-6-8-12-20(16)25)21(26)23-19-11-7-5-10-17(19)22(27)24(3)4/h5-12,14-15H,13H2,1-4H3,(H,23,26)
InChIKeyOAIHMEIMJCKZOL-UHFFFAOYSA-N
XLogP4.25
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
CID 55961998
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
1-(2-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide
CID 132989244
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
CID 55914201
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 86936630
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56523326
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
CID 24676596
[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
CID 87020117
2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
N-(1H-indol-4-yl)-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 56763575

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide (CID 87036364) is N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide is CC(C)Cn1cc(C(=O)Nc2ccccc2C(=O)N(C)C)c2ccccc21.
What is the InChIKey of N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is OAIHMEIMJCKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)13-25-14-18(16-9-6-8-12-20(16)25)21(26)23-19-11-7-5-10-17(19)22(27)24(3)4/h5-12,14-15H,13H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide?
N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 87036364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).