(Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide

C22H23N3O — CID 108835462

IUPAC(Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide
SMILESN#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H23N3O/c23-15-19(22(26)25-20-13-7-8-14-20)16-24-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,20-21,24H,7-8,13-14H2,(H,25,26)/b19-16-
InChIKeyAQIZWKZNRUWPNX-MNDPQUGUSA-N
MW345.45 g/mol
LogP3.83
Rot. Bonds6

About (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide

(Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide (PubChem CID 108835462) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide
PubChem CID108835462
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide
SMILESN#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H23N3O/c23-15-19(22(26)25-20-13-7-8-14-20)16-24-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,20-21,24H,7-8,13-14H2,(H,25,26)/b19-16-
InChIKeyAQIZWKZNRUWPNX-MNDPQUGUSA-N
XLogP3.83
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835467
2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108831400
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108835409
4-[[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]amino]benzoic acid
CID 108835416
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862565
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide
CID 108835427
2-[[(Z)-2-cyano-3-(cyclododecylamino)-3-oxoprop-1-enyl]amino]benzamide
CID 108862742
(Z)-2-cyano-3-(cycloheptylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840126
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide?
The IUPAC name of (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide (CID 108835462) is (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide.
What is the SMILES notation for (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide?
The canonical SMILES for (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide is N#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide?
The InChIKey is AQIZWKZNRUWPNX-MNDPQUGUSA-N. The full InChI is InChI=1S/C22H23N3O/c23-15-19(22(26)25-20-13-7-8-14-20)16-24-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,20-21,24H,7-8,13-14H2,(H,25,26)/b19-16-.
What are the key properties of (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide?
(Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide has a molecular weight of 345.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide is sourced from PubChem (CID 108835462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).