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

C20H21N3O4 — CID 108923257

IUPAC2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCc2ccc(NC(=O)CC#N)cc2)cc1
InChIInChI=1S/C20H21N3O4/c1-2-26-17-7-9-18(10-8-17)27-14-20(25)22-13-15-3-5-16(6-4-15)23-19(24)11-12-21/h3-10H,2,11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyBXDMGRWVNBGUJB-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.63
Rot. Bonds9

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

2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108923257) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108923257
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCc2ccc(NC(=O)CC#N)cc2)cc1
InChIInChI=1S/C20H21N3O4/c1-2-26-17-7-9-18(10-8-17)27-14-20(25)22-13-15-3-5-16(6-4-15)23-19(24)11-12-21/h3-10H,2,11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyBXDMGRWVNBGUJB-UHFFFAOYSA-N
XLogP2.63
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923167
2-cyano-N-[2-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923654
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
CID 108922952
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808387
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 108923065

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide (CID 108923257) is 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide is CCOc1ccc(OCC(=O)NCc2ccc(NC(=O)CC#N)cc2)cc1.
What is the InChIKey of 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is BXDMGRWVNBGUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-2-26-17-7-9-18(10-8-17)27-14-20(25)22-13-15-3-5-16(6-4-15)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-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108923257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).