N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide

C23H29N3O2 — CID 87012590

IUPACN-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(C(C)N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1
InChIInChI=1S/C23H29N3O2/c1-17-8-6-9-22(18(17)2)26(15-7-14-24)23(27)16-25(4)19(3)20-10-12-21(28-5)13-11-20/h6,8-13,19H,7,15-16H2,1-5H3
InChIKeyFNYHRJQWACLPIQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.25
Rot. Bonds8

About N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide

N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide (PubChem CID 87012590) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
PubChem CID87012590
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(C(C)N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1
InChIInChI=1S/C23H29N3O2/c1-17-8-6-9-22(18(17)2)26(15-7-14-24)23(27)16-25(4)19(3)20-10-12-21(28-5)13-11-20/h6,8-13,19H,7,15-16H2,1-5H3
InChIKeyFNYHRJQWACLPIQ-UHFFFAOYSA-N
XLogP4.25
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]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-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
CID 86869610
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87013821
2-[4-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 87013547
N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 86978990
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 110897569
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112840505
N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 55412917
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 87014450
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92675214
1-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 87013528
N-(3-acetamidophenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 86924606

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide (CID 87012590) is N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide is COc1ccc(C(C)N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is FNYHRJQWACLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-6-9-22(18(17)2)26(15-7-14-24)23(27)16-25(4)19(3)20-10-12-21(28-5)13-11-20/h6,8-13,19H,7,15-16H2,1-5H3.
What are the key properties of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide?
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 87012590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).