3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide

C18H17N3O3 — CID 26171733

IUPAC3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H17N3O3/c1-2-20-18(23)14-4-3-5-15(10-14)21-17(22)12-24-16-8-6-13(11-19)7-9-16/h3-10H,2,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyPXWMGHWGIIMDRN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.33
Rot. Bonds6

About 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide

3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide (PubChem CID 26171733) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
PubChem CID26171733
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H17N3O3/c1-2-20-18(23)14-4-3-5-15(10-14)21-17(22)12-24-16-8-6-13(11-19)7-9-16/h3-10H,2,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyPXWMGHWGIIMDRN-UHFFFAOYSA-N
XLogP2.33
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 9019837
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8510532
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
2-(4-cyanophenoxy)-N-(3-ethylphenyl)acetamide
CID 2100456
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 55750199
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide (CID 26171733) is 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide?
The InChIKey is PXWMGHWGIIMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-20-18(23)14-4-3-5-15(10-14)21-17(22)12-24-16-8-6-13(11-19)7-9-16/h3-10H,2,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide?
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide has a molecular weight of 323.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 26171733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).