N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide

C16H24N2O — CID 94785030

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-16(2,3)15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyOSUPRIYKTYGNFU-AWEZNQCLSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds3

About N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 94785030) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
PubChem CID94785030
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-16(2,3)15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyOSUPRIYKTYGNFU-AWEZNQCLSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide 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-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
CID 60847713
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide
CID 78913239
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
CID 45283387

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 94785030) is N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is OSUPRIYKTYGNFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 94785030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).