N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide

C20H22N2O — CID 78833376

IUPACN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H22N2O/c1-15-5-8-18(9-6-15)14-20(23)22(12-4-11-21)19-10-7-16(2)17(3)13-19/h5-10,13H,4,12,14H2,1-3H3
InChIKeyMMCCEXHFPFMTPN-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.10
Rot. Bonds5

About N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide (PubChem CID 78833376) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
PubChem CID78833376
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H22N2O/c1-15-5-8-18(9-6-15)14-20(23)22(12-4-11-21)19-10-7-16(2)17(3)13-19/h5-10,13H,4,12,14H2,1-3H3
InChIKeyMMCCEXHFPFMTPN-UHFFFAOYSA-N
XLogP4.10
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 86979013
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 86979034
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[3-[N-(2-cyanoethyl)-3,4-dimethylanilino]-3-oxopropyl]adamantane-1-carboxamide
CID 86890756
methyl 5-[2-cyanoethyl-(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylate
CID 86791153
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 98486914
2-(2-chloro-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
CID 43036548
N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 2086785
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 2393435

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide (CID 78833376) is N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide?
The InChIKey is MMCCEXHFPFMTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-5-8-18(9-6-15)14-20(23)22(12-4-11-21)19-10-7-16(2)17(3)13-19/h5-10,13H,4,12,14H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide?
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 78833376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).