3-[(4-methylphenyl)methylamino]-3-phenylpropanamide

C17H20N2O — CID 22386201

IUPAC3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
SMILESCc1ccc(CNC(CC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-7-9-14(10-8-13)12-19-16(11-17(18)20)15-5-3-2-4-6-15/h2-10,16,19H,11-12H2,1H3,(H2,18,20)
InChIKeyWLWWNMWGCRLUIU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.70
Rot. Bonds6

About 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide

3-[(4-methylphenyl)methylamino]-3-phenylpropanamide (PubChem CID 22386201) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
PubChem CID22386201
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
SMILESCc1ccc(CNC(CC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-7-9-14(10-8-13)12-19-16(11-17(18)20)15-5-3-2-4-6-15/h2-10,16,19H,11-12H2,1H3,(H2,18,20)
InChIKeyWLWWNMWGCRLUIU-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
3-phenyl-3-(propylamino)propanamide
CID 65235689
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
benzyl (3R)-3-(benzylamino)-3-phenylpropanoate
CID 101135571
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
butyl 3-(benzylamino)-3-phenylpropanoate
CID 69218913
ethyl 3-(benzylamino)-3-(4-iodophenyl)propanoate
CID 23067193
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide?
The IUPAC name of 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide (CID 22386201) is 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide?
The canonical SMILES for 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide is Cc1ccc(CNC(CC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide?
The InChIKey is WLWWNMWGCRLUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-7-9-14(10-8-13)12-19-16(11-17(18)20)15-5-3-2-4-6-15/h2-10,16,19H,11-12H2,1H3,(H2,18,20).
What are the key properties of 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide?
3-[(4-methylphenyl)methylamino]-3-phenylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylamino]-3-phenylpropanamide is sourced from PubChem (CID 22386201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).