3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide

C17H20N2O — CID 24705411

IUPAC3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-7-9-14(10-8-13)12-19-17(20)11-16(18)15-5-3-2-4-6-15/h2-10,16H,11-12,18H2,1H3,(H,19,20)
InChIKeyDBFVJEYPONXFGQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide

3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide (PubChem CID 24705411) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
PubChem CID24705411
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-7-9-14(10-8-13)12-19-17(20)11-16(18)15-5-3-2-4-6-15/h2-10,16H,11-12,18H2,1H3,(H,19,20)
InChIKeyDBFVJEYPONXFGQ-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114181945
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
CID 119950794
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 119949149
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide (CID 24705411) is 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide is Cc1ccc(CNC(=O)CC(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
The InChIKey is DBFVJEYPONXFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-7-9-14(10-8-13)12-19-17(20)11-16(18)15-5-3-2-4-6-15/h2-10,16H,11-12,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 24705411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).