4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide

C18H17N3O2 — CID 168520814

IUPAC4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-2-21(16-6-4-3-5-7-16)18(23)14-8-10-15(11-9-14)20-17(22)12-13-19/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyJELDFOIEMMCCNL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.21
Rot. Bonds5

About 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide

4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide (PubChem CID 168520814) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
PubChem CID168520814
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-2-21(16-6-4-3-5-7-16)18(23)14-8-10-15(11-9-14)20-17(22)12-13-19/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyJELDFOIEMMCCNL-UHFFFAOYSA-N
XLogP3.21
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide
CID 168523080
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
CID 82179228
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54817927
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
CID 39080358

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide (CID 168520814) is 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is JELDFOIEMMCCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-21(16-6-4-3-5-7-16)18(23)14-8-10-15(11-9-14)20-17(22)12-13-19/h3-11H,2,12H2,1H3,(H,20,22).
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide?
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 168520814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).