4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide

C17H22N2O — CID 3506875

IUPAC4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
SMILESCc1ccc(NC(=O)C(CC(C)C)n2cccc2)cc1
InChIInChI=1S/C17H22N2O/c1-13(2)12-16(19-10-4-5-11-19)17(20)18-15-8-6-14(3)7-9-15/h4-11,13,16H,12H2,1-3H3,(H,18,20)
InChIKeyCXJNWQHJACNKGL-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.02
Rot. Bonds5

About 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide

4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide (PubChem CID 3506875) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
PubChem CID3506875
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
SMILESCc1ccc(NC(=O)C(CC(C)C)n2cccc2)cc1
InChIInChI=1S/C17H22N2O/c1-13(2)12-16(19-10-4-5-11-19)17(20)18-15-8-6-14(3)7-9-15/h4-11,13,16H,12H2,1-3H3,(H,18,20)
InChIKeyCXJNWQHJACNKGL-UHFFFAOYSA-N
XLogP4.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
CID 126418132
(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 110205851
(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
CID 110205676
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239638
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide
CID 126824390
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239830
4-methyl-N-[2-(2-methyltetrazol-5-yl)phenyl]-2-pyrrol-1-ylpentanamide
CID 121240041
2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
CID 4227620
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide (CID 3506875) is 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide is Cc1ccc(NC(=O)C(CC(C)C)n2cccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide?
The InChIKey is CXJNWQHJACNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)12-16(19-10-4-5-11-19)17(20)18-15-8-6-14(3)7-9-15/h4-11,13,16H,12H2,1-3H3,(H,18,20).
What are the key properties of 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide?
4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide has a molecular weight of 270.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 3506875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).