(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide

C18H23N3O — CID 108835409

IUPAC(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide
SMILESCC(C)c1ccc(N/C=C(/C#N)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)14-7-9-16(10-8-14)20-12-15(11-19)18(22)21-17-5-3-4-6-17/h7-10,12-13,17,20H,3-6H2,1-2H3,(H,21,22)/b15-12-
InChIKeyOUGNQLMUBOMPRB-QINSGFPZSA-N
MW297.40 g/mol
LogP3.69
Rot. Bonds5

About (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide (PubChem CID 108835409) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide
PubChem CID108835409
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide
SMILESCC(C)c1ccc(N/C=C(/C#N)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)14-7-9-16(10-8-14)20-12-15(11-19)18(22)21-17-5-3-4-6-17/h7-10,12-13,17,20H,3-6H2,1-2H3,(H,21,22)/b15-12-
InChIKeyOUGNQLMUBOMPRB-QINSGFPZSA-N
XLogP3.69
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.69
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-hydroxyanilino)prop-2-enamide
CID 108835427
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
4-[[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]amino]benzoic acid
CID 108835416
(Z)-2-cyano-3-(cyclopentylamino)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820576
(Z)-2-cyano-N-cyclopentyl-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835608
ethyl 4-[[(Z)-2-cyano-3-(cyclododecylamino)-3-oxoprop-1-enyl]amino]benzoate
CID 108862533
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835417
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108827247
(Z)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-cyano-N-cyclopentylprop-2-enamide
CID 108835512
(Z)-3-(3-acetamidoanilino)-2-cyano-N-cyclododecylprop-2-enamide
CID 108862713
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-N-benzhydryl-2-cyano-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108840258

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide (CID 108835409) is (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide is CC(C)c1ccc(N/C=C(/C#N)C(=O)NC2CCCC2)cc1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide?
The InChIKey is OUGNQLMUBOMPRB-QINSGFPZSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(2)14-7-9-16(10-8-14)20-12-15(11-19)18(22)21-17-5-3-4-6-17/h7-10,12-13,17,20H,3-6H2,1-2H3,(H,21,22)/b15-12-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide has a molecular weight of 297.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide is sourced from PubChem (CID 108835409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).