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

C20H21N3O3 — CID 108923197

IUPAC2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(NC(=O)CC#N)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-18-9-5-15(6-10-18)13-20(25)22-14-16-3-7-17(8-4-16)23-19(24)11-12-21/h3-10H,2,11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyDHNAMTAETIFWLA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.80
Rot. Bonds8

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

2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108923197) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108923197
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(NC(=O)CC#N)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-18-9-5-15(6-10-18)13-20(25)22-14-16-3-7-17(8-4-16)23-19(24)11-12-21/h3-10H,2,11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyDHNAMTAETIFWLA-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

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Related Compounds

2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
CID 108924311
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
2-cyano-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923167
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 108923065
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808387

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide (CID 108923197) is 2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide is CCOc1ccc(CC(=O)NCc2ccc(NC(=O)CC#N)cc2)cc1.
What is the InChIKey of 2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is DHNAMTAETIFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-26-18-9-5-15(6-10-18)13-20(25)22-14-16-3-7-17(8-4-16)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-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[4-[[[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-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108923197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).