N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide

C24H25N3O2 — CID 34179436

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c2ccccc21
InChIInChI=1S/C24H25N3O2/c1-26-15-21(20-4-2-3-5-22(20)26)24(29)27(19-12-13-19)14-16-6-8-17(9-7-16)23(28)25-18-10-11-18/h2-9,15,18-19H,10-14H2,1H3,(H,25,28)
InChIKeyOTUOVZBAIYKSKH-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.88
Rot. Bonds6

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide (PubChem CID 34179436) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
PubChem CID34179436
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c2ccccc21
InChIInChI=1S/C24H25N3O2/c1-26-15-21(20-4-2-3-5-22(20)26)24(29)27(19-12-13-19)14-16-6-8-17(9-7-16)23(28)25-18-10-11-18/h2-9,15,18-19H,10-14H2,1H3,(H,25,28)
InChIKeyOTUOVZBAIYKSKH-UHFFFAOYSA-N
XLogP3.88
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 171682087
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55912741
N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
CID 33345317
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 33340647
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide (CID 34179436) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide?
The InChIKey is OTUOVZBAIYKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26-15-21(20-4-2-3-5-22(20)26)24(29)27(19-12-13-19)14-16-6-8-17(9-7-16)23(28)25-18-10-11-18/h2-9,15,18-19H,10-14H2,1H3,(H,25,28).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 34179436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).