N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide

C15H18N2O — CID 131929450

IUPACN-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
SMILESCCC(NC(=O)c1cc[nH]c1)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O/c1-3-14(12-6-4-11(2)5-7-12)17-15(18)13-8-9-16-10-13/h4-10,14,16H,3H2,1-2H3,(H,17,18)
InChIKeySJEZUUVPDGBIKQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide

N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 131929450) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
PubChem CID131929450
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
SMILESCCC(NC(=O)c1cc[nH]c1)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O/c1-3-14(12-6-4-11(2)5-7-12)17-15(18)13-8-9-16-10-13/h4-10,14,16H,3H2,1-2H3,(H,17,18)
InChIKeySJEZUUVPDGBIKQ-UHFFFAOYSA-N
XLogP3.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
N-[(1S)-1-(4-methylphenyl)propyl]-2H-benzotriazole-5-carboxamide
CID 51562771
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide (CID 131929450) is N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide is CCC(NC(=O)c1cc[nH]c1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is SJEZUUVPDGBIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-14(12-6-4-11(2)5-7-12)17-15(18)13-8-9-16-10-13/h4-10,14,16H,3H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide?
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131929450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).