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

C19H19N3O4 — CID 108922952

IUPAC2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccccc2NC(=O)CC#N)cc1
InChIInChI=1S/C19H19N3O4/c1-2-25-14-7-9-15(10-8-14)26-13-19(24)22-17-6-4-3-5-16(17)21-18(23)11-12-20/h3-10H,2,11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyBTFFWBLIRIUACQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.95
Rot. Bonds8

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

2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide (PubChem CID 108922952) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
PubChem CID108922952
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccccc2NC(=O)CC#N)cc1
InChIInChI=1S/C19H19N3O4/c1-2-25-14-7-9-15(10-8-14)26-13-19(24)22-17-6-4-3-5-16(17)21-18(23)11-12-20/h3-10H,2,11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyBTFFWBLIRIUACQ-UHFFFAOYSA-N
XLogP2.95
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[2-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923654
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
N-(3-acetamido-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 134019141
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
N-[2-(2-chlorophenoxy)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 16568471
2-(3-cyanophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 2591399
2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
CID 47078845

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide (CID 108922952) is 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide is CCOc1ccc(OCC(=O)Nc2ccccc2NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide?
The InChIKey is BTFFWBLIRIUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-25-14-7-9-15(10-8-14)26-13-19(24)22-17-6-4-3-5-16(17)21-18(23)11-12-20/h3-10H,2,11,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide?
2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 108922952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).