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

C16H19N3O — CID 108835467

IUPAC(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide
SMILESN#C/C(=C/NCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O/c17-10-14(16(20)19-15-8-4-5-9-15)12-18-11-13-6-2-1-3-7-13/h1-3,6-7,12,15,18H,4-5,8-9,11H2,(H,19,20)/b14-12-
InChIKeyHNKXUYMRVXNRKD-OWBHPGMISA-N
MW269.35 g/mol
LogP2.24
Rot. Bonds5

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

(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide (PubChem CID 108835467) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide
PubChem CID108835467
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide
SMILESN#C/C(=C/NCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O/c17-10-14(16(20)19-15-8-4-5-9-15)12-18-11-13-6-2-1-3-7-13/h1-3,6-7,12,15,18H,4-5,8-9,11H2,(H,19,20)/b14-12-
InChIKeyHNKXUYMRVXNRKD-OWBHPGMISA-N
XLogP2.24
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.24
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)-2-cyano-N-cyclopentyl-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108835542
(Z)-2-cyano-N-cyclododecyl-3-[(2-fluorophenyl)methylamino]prop-2-enamide
CID 108862776
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862565
(Z)-2-cyano-N-cyclopentyl-3-[(2-methoxyphenyl)methylamino]prop-2-enamide
CID 108835664
(Z)-3-(benzhydrylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835462
(Z)-2-cyano-N-cyclododecyl-3-[2-(3-methylphenyl)ethylamino]prop-2-enamide
CID 108862853
3-(benzylamino)-2-cyano-N-ethylprop-2-enamide
CID 71410822
(Z)-3-[2-(2-chlorophenyl)ethylamino]-2-cyano-N-cyclohexylprop-2-enamide
CID 108831657
(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide
CID 56696194
(Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
CID 108835739
(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855171
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide?
The IUPAC name of (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide (CID 108835467) is (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide.
What is the SMILES notation for (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide?
The canonical SMILES for (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide is N#C/C(=C/NCc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide?
The InChIKey is HNKXUYMRVXNRKD-OWBHPGMISA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-14(16(20)19-15-8-4-5-9-15)12-18-11-13-6-2-1-3-7-13/h1-3,6-7,12,15,18H,4-5,8-9,11H2,(H,19,20)/b14-12-.
What are the key properties of (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide?
(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide has a molecular weight of 269.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide is sourced from PubChem (CID 108835467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).