N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

C18H18N2O — CID 62982241

IUPACN-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)c2ccc(C#N)cc2)cc1C
InChIInChI=1S/C18H18N2O/c1-13-4-5-16(10-14(13)2)11-18(21)20(3)17-8-6-15(12-19)7-9-17/h4-10H,11H2,1-3H3
InChIKeyXDCUEOOGCUPEEP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.38
Rot. Bonds3

About N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 62982241) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID62982241
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)c2ccc(C#N)cc2)cc1C
InChIInChI=1S/C18H18N2O/c1-13-4-5-16(10-14(13)2)11-18(21)20(3)17-8-6-15(12-19)7-9-17/h4-10H,11H2,1-3H3
InChIKeyXDCUEOOGCUPEEP-UHFFFAOYSA-N
XLogP3.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62981903
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534
(4-cyanophenyl) 2-(3,4-dimethylphenyl)acetate
CID 4816204
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
(4-cyano-2-ethoxyphenyl) 2-(3,4-dimethylphenyl)acetate
CID 8799809
2-[2-(4-cyano-N-methylanilino)-2-oxoethoxy]acetic acid
CID 62983344
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
N-(4-cyanophenyl)-N,3-dimethylpentanamide
CID 114874745
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 62982241) is N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)c2ccc(C#N)cc2)cc1C.
What is the InChIKey of N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is XDCUEOOGCUPEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-4-5-16(10-14(13)2)11-18(21)20(3)17-8-6-15(12-19)7-9-17/h4-10H,11H2,1-3H3.
What are the key properties of N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 278.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 62982241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).