N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide

C16H20N2O — CID 62539671

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)N(CCC#N)C2CC2)c1
InChIInChI=1S/C16H20N2O/c1-12-4-5-13(2)14(10-12)11-16(19)18(9-3-8-17)15-6-7-15/h4-5,10,15H,3,6-7,9,11H2,1-2H3
InChIKeyZWCRDOFAWCGTIG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide

N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide (PubChem CID 62539671) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
PubChem CID62539671
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)N(CCC#N)C2CC2)c1
InChIInChI=1S/C16H20N2O/c1-12-4-5-13(2)14(10-12)11-16(19)18(9-3-8-17)15-6-7-15/h4-5,10,15H,3,6-7,9,11H2,1-2H3
InChIKeyZWCRDOFAWCGTIG-UHFFFAOYSA-N
XLogP2.75
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)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

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62538681
2-[2-[2-cyanoethyl(cyclopropyl)amino]-2-oxoethyl]benzoic acid
CID 104601447
N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide
CID 62537191
2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61038565
3-[cyclopropyl-[2-(2,4-dimethylphenyl)-2-oxoethyl]amino]propanenitrile
CID 62037407
1-(2-cyanoethyl)-1-cyclopropyl-3-(3-methylphenyl)urea
CID 54949101
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 54997264
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 78833376
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide (CID 62539671) is N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)N(CCC#N)C2CC2)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is ZWCRDOFAWCGTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-5-13(2)14(10-12)11-16(19)18(9-3-8-17)15-6-7-15/h4-5,10,15H,3,6-7,9,11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.75, 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-cyclopropyl-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 62539671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).