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

C15H22N2O — CID 119752994

IUPACN-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CCNC2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)12-5-4-6-14(9-12)17(3)15(18)13-7-8-16-10-13/h4-6,9,11,13,16H,7-8,10H2,1-3H3
InChIKeyILTUGJSPYAINQV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.38
Rot. Bonds3

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

N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 119752994) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID119752994
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CCNC2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)12-5-4-6-14(9-12)17(3)15(18)13-7-8-16-10-13/h4-6,9,11,13,16H,7-8,10H2,1-3H3
InChIKeyILTUGJSPYAINQV-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide
CID 155955403
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
(3R)-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 81140173
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 47868124
N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 60586831
N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159458
N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
CID 119930941
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 115159432
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 115159459

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 119752994) is N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(N(C)C(=O)C2CCNC2)c1.
What is the InChIKey of N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ILTUGJSPYAINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12-5-4-6-14(9-12)17(3)15(18)13-7-8-16-10-13/h4-6,9,11,13,16H,7-8,10H2,1-3H3.
What are the key properties of N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119752994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).