2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide

C15H23N3O — CID 103630194

IUPAC2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCN1CCCC1CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-18-9-5-8-13(18)11-17-15(19)14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3,(H,17,19)
InChIKeyLGUMCBURGQKMDL-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.77
Rot. Bonds5

About 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide

2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 103630194) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
PubChem CID103630194
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCN1CCCC1CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-18-9-5-8-13(18)11-17-15(19)14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3,(H,17,19)
InChIKeyLGUMCBURGQKMDL-UHFFFAOYSA-N
XLogP0.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide 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

(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide (CID 103630194) is 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide is CN1CCCC1CNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is LGUMCBURGQKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-9-5-8-13(18)11-17-15(19)14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 103630194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).