3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide

C14H23N3O — CID 106914853

IUPAC3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(CN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-16-14(18)8-9-17(2)11-13(10-15)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3,(H,16,18)
InChIKeyCVBUGIGPQJDYMU-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.80
Rot. Bonds7

About 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide

3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide (PubChem CID 106914853) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
PubChem CID106914853
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(CN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-16-14(18)8-9-17(2)11-13(10-15)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3,(H,16,18)
InChIKeyCVBUGIGPQJDYMU-UHFFFAOYSA-N
XLogP0.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
N-methyl-4,4-diphenylbutanamide
CID 125470248
3-[[3-[2-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914835
3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
CID 106914569
2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
CID 43588516
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
CID 66612939

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide (CID 106914853) is 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CC(CN)c1ccccc1.
What is the InChIKey of 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide?
The InChIKey is CVBUGIGPQJDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-14(18)8-9-17(2)11-13(10-15)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide?
3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).