3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide

C18H22N2O — CID 119949663

IUPAC3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)CC(N)c2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-8-9-16(14(2)10-13)12-20-18(21)11-17(19)15-6-4-3-5-7-15/h3-10,17H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyXZYIEPBGOGGLCD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.01
Rot. Bonds5

About 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide

3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide (PubChem CID 119949663) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
PubChem CID119949663
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)CC(N)c2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-8-9-16(14(2)10-13)12-20-18(21)11-17(19)15-6-4-3-5-7-15/h3-10,17H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyXZYIEPBGOGGLCD-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952335
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide (CID 119949663) is 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide is Cc1ccc(CNC(=O)CC(N)c2ccccc2)c(C)c1.
What is the InChIKey of 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide?
The InChIKey is XZYIEPBGOGGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-9-16(14(2)10-13)12-20-18(21)11-17(19)15-6-4-3-5-7-15/h3-10,17H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide?
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119949663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).