3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide

C16H25N3O — CID 119888709

IUPAC3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-13(17)10-16(20)18-11-15-8-5-9-19(15)12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20)
InChIKeyUNHVHTRPMKGZPA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds6

About 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide

3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide (PubChem CID 119888709) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
PubChem CID119888709
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-13(17)10-16(20)18-11-15-8-5-9-19(15)12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20)
InChIKeyUNHVHTRPMKGZPA-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide 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

(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111481676
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866
N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
CID 166207297
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide (CID 119888709) is 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide is CC(N)CC(=O)NCC1CCCN1Cc1ccccc1.
What is the InChIKey of 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide?
The InChIKey is UNHVHTRPMKGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(17)10-16(20)18-11-15-8-5-9-19(15)12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide?
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide has a molecular weight of 275.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide is sourced from PubChem (CID 119888709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).