3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide

C15H22N2O — CID 119449948

IUPAC3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCNC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11(2)14(12-6-4-3-5-7-12)15(18)17-13-8-9-16-10-13/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,17,18)
InChIKeyNUNQTVUTQVFNRD-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.90
Rot. Bonds4

About 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide

3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119449948) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119449948
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCNC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11(2)14(12-6-4-3-5-7-12)15(18)17-13-8-9-16-10-13/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,17,18)
InChIKeyNUNQTVUTQVFNRD-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
N-[2-oxo-1-phenyl-2-(pyrrolidin-3-ylamino)ethyl]benzamide
CID 119449549
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
2-benzylsulfanyl-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451901
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
3-methyl-2-phenyl-N-(3-phenylpiperidin-4-yl)pentanamide
CID 91573453
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide (CID 119449948) is 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide is CC(C)C(C(=O)NC1CCNC1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is NUNQTVUTQVFNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)14(12-6-4-3-5-7-12)15(18)17-13-8-9-16-10-13/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide?
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119449948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).