N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide

C25H24N2O3 — CID 1267242

IUPACN-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide
SMILESCCOc1cc(C#N)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H24N2O3/c1-3-29-22-15-20(17-26)21(16-23(22)30-4-2)27-25(28)24(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-16,24H,3-4H2,1-2H3,(H,27,28)
InChIKeyTVPKMOPFNKYSTE-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.13
Rot. Bonds8

About N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide

N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide (PubChem CID 1267242) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide
PubChem CID1267242
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide
SMILESCCOc1cc(C#N)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H24N2O3/c1-3-29-22-15-20(17-26)21(16-23(22)30-4-2)27-25(28)24(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-16,24H,3-4H2,1-2H3,(H,27,28)
InChIKeyTVPKMOPFNKYSTE-UHFFFAOYSA-N
XLogP5.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide 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-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
CID 26891804
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708096
(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
N-(2-cyano-4,5-diethoxyphenyl)-3-methyl-4-nitrobenzamide
CID 1263266
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8607165
(2S)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)propanamide
CID 1267241
N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
CID 2247470
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8572716

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide?
The IUPAC name of N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide (CID 1267242) is N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide is CCOc1cc(C#N)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1OCC.
What is the InChIKey of N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide?
The InChIKey is TVPKMOPFNKYSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-29-22-15-20(17-26)21(16-23(22)30-4-2)27-25(28)24(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-16,24H,3-4H2,1-2H3,(H,27,28).
What are the key properties of N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide?
N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide has a molecular weight of 400.48 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4,5-diethoxyphenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 1267242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).