2-[(3-amino-2-phenylpropyl)-methylamino]acetamide

C12H19N3O — CID 43532171

IUPAC2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
SMILESCN(CC(N)=O)CC(CN)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-15(9-12(14)16)8-11(7-13)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H2,14,16)
InChIKeyCYGHYOWNXHGUFZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.15
Rot. Bonds6

About 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide

2-[(3-amino-2-phenylpropyl)-methylamino]acetamide (PubChem CID 43532171) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
PubChem CID43532171
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
SMILESCN(CC(N)=O)CC(CN)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-15(9-12(14)16)8-11(7-13)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H2,14,16)
InChIKeyCYGHYOWNXHGUFZ-UHFFFAOYSA-N
XLogP0.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide 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-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
CID 106914853
2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
CID 43588516
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide?
The IUPAC name of 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide (CID 43532171) is 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide?
The canonical SMILES for 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide is CN(CC(N)=O)CC(CN)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide?
The InChIKey is CYGHYOWNXHGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(9-12(14)16)8-11(7-13)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H2,14,16).
What are the key properties of 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide?
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-phenylpropyl)-methylamino]acetamide is sourced from PubChem (CID 43532171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).