2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide

C18H22N2O — CID 108997021

IUPAC2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(CNCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-8-10-16(11-9-14)12-19-13-18(21)20-15(2)17-6-4-3-5-7-17/h3-11,15,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyZOTRHPDYJJDJOO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.96
Rot. Bonds6

About 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide

2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 108997021) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
PubChem CID108997021
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(CNCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-8-10-16(11-9-14)12-19-13-18(21)20-15(2)17-6-4-3-5-7-17/h3-11,15,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyZOTRHPDYJJDJOO-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845447
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 50957640
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide
CID 108997322
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
2-(3,4-dihydro-2H-chromen-6-ylmethylamino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95123738
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide (CID 108997021) is 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide is Cc1ccc(CNCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is ZOTRHPDYJJDJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-8-10-16(11-9-14)12-19-13-18(21)20-15(2)17-6-4-3-5-7-17/h3-11,15,19H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide?
2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 108997021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).