2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide

C17H17NO2 — CID 47121155

IUPAC2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
SMILESCc1ccc(C(=O)C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-12-8-10-15(11-9-12)16(19)17(20)18-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,20)
InChIKeyHAVMJWIEJWDZPD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide

2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide (PubChem CID 47121155) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
PubChem CID47121155
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
SMILESCc1ccc(C(=O)C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-12-8-10-15(11-9-12)16(19)17(20)18-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,20)
InChIKeyHAVMJWIEJWDZPD-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
(E)-1-(4-methylphenyl)-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one
CID 897823
N-[1-(5-methylfuran-2-yl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 47121321
2-(4-methylphenyl)-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94448741
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
CID 82121215
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide (CID 47121155) is 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide is Cc1ccc(C(=O)C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide?
The InChIKey is HAVMJWIEJWDZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-8-10-15(11-9-12)16(19)17(20)18-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,20).
What are the key properties of 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide?
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 47121155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).