2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide

C17H19N3O2 — CID 108924222

IUPAC2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1cccc(NC(=O)C=C2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c18-9-8-16(21)19-12-14-6-3-7-15(10-14)20-17(22)11-13-4-1-2-5-13/h3,6-7,10-11H,1-2,4-5,8,12H2,(H,19,21)(H,20,22)
InChIKeyZYVAVZHKOQQTAT-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.66
Rot. Bonds5

About 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide

2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide (PubChem CID 108924222) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
PubChem CID108924222
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1cccc(NC(=O)C=C2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c18-9-8-16(21)19-12-14-6-3-7-15(10-14)20-17(22)11-13-4-1-2-5-13/h3,6-7,10-11H,1-2,4-5,8,12H2,(H,19,21)(H,20,22)
InChIKeyZYVAVZHKOQQTAT-UHFFFAOYSA-N
XLogP2.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.66
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-[[3-[[2-(oxan-4-ylidene)acetyl]amino]phenyl]methyl]acetamide
CID 108924220
N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108934742
(E)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-4,4-dimethylpent-2-enamide
CID 108924210
2-cyano-N-[4-[(2-cyclohexylideneacetyl)amino]phenyl]acetamide
CID 108922639
2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
CID 108924164
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-ethylbutanamide
CID 108924026
2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923898
3-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923896
N-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923902
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide (CID 108924222) is 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide is N#CCC(=O)NCc1cccc(NC(=O)C=C2CCCC2)c1.
What is the InChIKey of 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide?
The InChIKey is ZYVAVZHKOQQTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-9-8-16(21)19-12-14-6-3-7-15(10-14)20-17(22)11-13-4-1-2-5-13/h3,6-7,10-11H,1-2,4-5,8,12H2,(H,19,21)(H,20,22).
What are the key properties of 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide?
2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide is sourced from PubChem (CID 108924222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).