3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C16H24N2O — CID 102779276

IUPAC3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2NCCC2C)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)14-6-4-13(5-7-14)10-18-16(19)15-12(3)8-9-17-15/h4-7,11-12,15,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyKKXFOVJYNFPRKS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds4

About 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 102779276) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID102779276
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2NCCC2C)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)14-6-4-13(5-7-14)10-18-16(19)15-12(3)8-9-17-15/h4-7,11-12,15,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyKKXFOVJYNFPRKS-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 102779045
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102777869
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779392
4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 102779276) is 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(CNC(=O)C2NCCC2C)cc1.
What is the InChIKey of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KKXFOVJYNFPRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)14-6-4-13(5-7-14)10-18-16(19)15-12(3)8-9-17-15/h4-7,11-12,15,17H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).