3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C15H22N2O — CID 63141010

IUPAC3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C15H22N2O/c1-11(2)12-6-4-5-7-13(12)17-14(18)15(3)8-9-16-10-15/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyCDAWTPAQKRZZFD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds3

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

3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 63141010) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID63141010
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C15H22N2O/c1-11(2)12-6-4-5-7-13(12)17-14(18)15(3)8-9-16-10-15/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyCDAWTPAQKRZZFD-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710910
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63140356
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139606
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 63141010) is 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CDAWTPAQKRZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12-6-4-5-7-13(12)17-14(18)15(3)8-9-16-10-15/h4-7,11,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).