2-(4-methylanilino)-N-(1-phenylethyl)acetamide

C17H20N2O — CID 54814142

IUPAC2-(4-methylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-8-10-16(11-9-13)18-12-17(20)19-14(2)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3,(H,19,20)
InChIKeySPQWIRQHSHRTAF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-methylanilino)-N-(1-phenylethyl)acetamide

2-(4-methylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 54814142) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(1-phenylethyl)acetamide
PubChem CID54814142
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(4-methylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-8-10-16(11-9-13)18-12-17(20)19-14(2)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3,(H,19,20)
InChIKeySPQWIRQHSHRTAF-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylanilino)-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
CID 108997021
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-methylanilino)-N-(1-phenylethyl)acetamide (CID 54814142) is 2-(4-methylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-(1-phenylethyl)acetamide is Cc1ccc(NCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is SPQWIRQHSHRTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-8-10-16(11-9-13)18-12-17(20)19-14(2)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methylanilino)-N-(1-phenylethyl)acetamide?
2-(4-methylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 54814142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).