2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide

C18H18N2O — CID 62403132

IUPAC2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2O/c1-13-3-9-17(10-4-13)14(2)20-18(21)11-15-5-7-16(12-19)8-6-15/h3-10,14H,11H2,1-2H3,(H,20,21)
InChIKeyRQVKAEOEZFQHLU-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.29
Rot. Bonds4

About 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide

2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 62403132) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID62403132
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2O/c1-13-3-9-17(10-4-13)14(2)20-18(21)11-15-5-7-16(12-19)8-6-15/h3-10,14H,11H2,1-2H3,(H,20,21)
InChIKeyRQVKAEOEZFQHLU-UHFFFAOYSA-N
XLogP3.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 78961198
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide (CID 62403132) is 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is RQVKAEOEZFQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-3-9-17(10-4-13)14(2)20-18(21)11-15-5-7-16(12-19)8-6-15/h3-10,14H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 62403132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).