4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide

C20H24N2O2 — CID 32589793

IUPAC4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1C
InChIInChI=1S/C20H24N2O2/c1-12-5-7-16(8-6-12)11-22(17-9-10-17)20(24)19-13(2)18(15(4)23)14(3)21-19/h5-8,17,21H,9-11H2,1-4H3
InChIKeyOOIJBJYUMRCPMM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.95
Rot. Bonds5

About 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 32589793) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID32589793
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1C
InChIInChI=1S/C20H24N2O2/c1-12-5-7-16(8-6-12)11-22(17-9-10-17)20(24)19-13(2)18(15(4)23)14(3)21-19/h5-8,17,21H,9-11H2,1-4H3
InChIKeyOOIJBJYUMRCPMM-UHFFFAOYSA-N
XLogP3.95
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 78853816
ethyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51206692
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
methyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31448998
4-acetyl-N,3,5-trimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8965234
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993002
4-acetyl-3,5-dimethyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1H-pyrrole-2-carboxamide
CID 31439511
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 32590253
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 32589793) is 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1C.
What is the InChIKey of 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OOIJBJYUMRCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-12-5-7-16(8-6-12)11-22(17-9-10-17)20(24)19-13(2)18(15(4)23)14(3)21-19/h5-8,17,21H,9-11H2,1-4H3.
What are the key properties of 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 32589793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).