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

C17H19N3O2 — CID 108922639

IUPAC2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)C=C2CCCCC2)cc1
InChIInChI=1S/C17H19N3O2/c18-11-10-16(21)19-14-6-8-15(9-7-14)20-17(22)12-13-4-2-1-3-5-13/h6-9,12H,1-5,10H2,(H,19,21)(H,20,22)
InChIKeyATRZMVWJTOSMFE-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.37
Rot. Bonds4

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

2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide (PubChem CID 108922639) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide
PubChem CID108922639
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)C=C2CCCCC2)cc1
InChIInChI=1S/C17H19N3O2/c18-11-10-16(21)19-14-6-8-15(9-7-14)20-17(22)12-13-4-2-1-3-5-13/h6-9,12H,1-5,10H2,(H,19,21)(H,20,22)
InChIKeyATRZMVWJTOSMFE-UHFFFAOYSA-N
XLogP3.37
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
CID 108924222
2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide
CID 108921914
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
(E)-N-[4-[(2-cyanoacetyl)amino]phenyl]-3-cyclopropylbut-2-enamide
CID 108922647
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
2-cyano-N-[[3-[[2-(oxan-4-ylidene)acetyl]amino]phenyl]methyl]acetamide
CID 108924220
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060
2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 168522198
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide (CID 108922639) is 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide is N#CCC(=O)Nc1ccc(NC(=O)C=C2CCCCC2)cc1.
What is the InChIKey of 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide?
The InChIKey is ATRZMVWJTOSMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-11-10-16(21)19-14-6-8-15(9-7-14)20-17(22)12-13-4-2-1-3-5-13/h6-9,12H,1-5,10H2,(H,19,21)(H,20,22).
What are the key properties of 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide?
2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 108922639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).