N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide

C25H24N2O3 — CID 7993362

IUPACN,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-2-29-24-15-22(16-26)13-14-23(24)30-19-25(28)27(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-15H,2,17-19H2,1H3
InChIKeyGLGKVPPUXAMEIX-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.56
Rot. Bonds9

About N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide

N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide (PubChem CID 7993362) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
PubChem CID7993362
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-2-29-24-15-22(16-26)13-14-23(24)30-19-25(28)27(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-15H,2,17-19H2,1H3
InChIKeyGLGKVPPUXAMEIX-UHFFFAOYSA-N
XLogP4.56
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)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

2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18202482
benzyl 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 27725620
3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 27287293
3-ethoxy-4-phenylmethoxybenzonitrile;3-oxobutanoic acid
CID 174551287
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
CID 27006212
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 39428702
(4-cyano-2-ethoxyphenyl) 2-(4-phenylmethoxyphenoxy)acetate
CID 8800134
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 8561127
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The IUPAC name of N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide (CID 7993362) is N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide is CCOc1cc(C#N)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The InChIKey is GLGKVPPUXAMEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-29-24-15-22(16-26)13-14-23(24)30-19-25(28)27(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-15H,2,17-19H2,1H3.
What are the key properties of N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide?
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7993362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).