2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide

C20H21N3O3 — CID 108923594

IUPAC2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccccc2NC(=O)CC#N)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-17-9-7-15(8-10-17)13-20(25)22-14-16-5-3-4-6-18(16)23-19(24)11-12-21/h3-10H,2,11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyVDZJXQJCHQFHCE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.80
Rot. Bonds8

About 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide

2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108923594) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108923594
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccccc2NC(=O)CC#N)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-17-9-7-15(8-10-17)13-20(25)22-14-16-5-3-4-6-18(16)23-19(24)11-12-21/h3-10H,2,11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyVDZJXQJCHQFHCE-UHFFFAOYSA-N
XLogP2.80
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]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-cyano-N-[2-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923654
2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
CID 108922952
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 108923757
N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925977
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
CID 108924311
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
2-(4-ethoxyphenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 60653646
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide (CID 108923594) is 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide is CCOc1ccc(CC(=O)NCc2ccccc2NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is VDZJXQJCHQFHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-26-17-9-7-15(8-10-17)13-20(25)22-14-16-5-3-4-6-18(16)23-19(24)11-12-21/h3-10H,2,11,13-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108923594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).