N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide

C16H20N2O — CID 134054140

IUPACN,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cccn2C)cc1
InChIInChI=1S/C16H20N2O/c1-12-7-9-14(10-8-12)13(2)18(4)16(19)15-6-5-11-17(15)3/h5-11,13H,1-4H3
InChIKeyIVRLYXKWLGTWKJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.17
Rot. Bonds3

About N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide

N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 134054140) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID134054140
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cccn2C)cc1
InChIInChI=1S/C16H20N2O/c1-12-7-9-14(10-8-12)13(2)18(4)16(19)15-6-5-11-17(15)3/h5-11,13H,1-4H3
InChIKeyIVRLYXKWLGTWKJ-UHFFFAOYSA-N
XLogP3.17
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 115765031
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 82505454
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
CID 78886133
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518504
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61107639
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
N-methyl-2-(methylamino)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 62637498
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
CID 112725740

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide (CID 134054140) is N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2cccn2C)cc1.
What is the InChIKey of N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is IVRLYXKWLGTWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-9-14(10-8-12)13(2)18(4)16(19)15-6-5-11-17(15)3/h5-11,13H,1-4H3.
What are the key properties of N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?
N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 134054140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).