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

C15H20N4O — CID 60962958

IUPAC3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCN(Cc1nccn1C)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-18-9-8-17-14(18)11-19(2)15(20)10-13(16)12-6-4-3-5-7-12/h3-9,13H,10-11,16H2,1-2H3
InChIKeyBNRUCBAXLSAPAT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds5

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

3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 60962958) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID60962958
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCN(Cc1nccn1C)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-18-9-8-17-14(18)11-19(2)15(20)10-13(16)12-6-4-3-5-7-12/h3-9,13H,10-11,16H2,1-2H3
InChIKeyBNRUCBAXLSAPAT-UHFFFAOYSA-N
XLogP1.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-methyl-N-[(1-methylimidazol-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

2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
2-(3-aminopyrazol-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 62112067
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 119954141
2-isoquinolin-1-ylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 71968549
3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 42169778
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 45177870
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (CID 60962958) is 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is CN(Cc1nccn1C)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is BNRUCBAXLSAPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-9-8-17-14(18)11-19(2)15(20)10-13(16)12-6-4-3-5-7-12/h3-9,13H,10-11,16H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 60962958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).