(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide

C20H27N3O — CID 108831412

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
SMILESCCc1cccc(CC)c1N/C=C(/C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C20H27N3O/c1-3-15-9-8-10-16(4-2)19(15)22-14-17(13-21)20(24)23-18-11-6-5-7-12-18/h8-10,14,18,22H,3-7,11-12H2,1-2H3,(H,23,24)/b17-14-
InChIKeyAKDICRMFHZCTPQ-VKAVYKQESA-N
MW325.46 g/mol
LogP4.08
Rot. Bonds6

About (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide (PubChem CID 108831412) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
PubChem CID108831412
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
SMILESCCc1cccc(CC)c1N/C=C(/C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C20H27N3O/c1-3-15-9-8-10-16(4-2)19(15)22-14-17(13-21)20(24)23-18-11-6-5-7-12-18/h8-10,14,18,22H,3-7,11-12H2,1-2H3,(H,23,24)/b17-14-
InChIKeyAKDICRMFHZCTPQ-VKAVYKQESA-N
XLogP4.08
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.08
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-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849268
(Z)-2-cyano-3-(cyclohexylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849184
(Z)-3-(3-acetamidoanilino)-2-cyano-N-cyclododecylprop-2-enamide
CID 108862713
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862565
(Z)-2-cyano-N-cyclododecyl-3-[(2-fluorophenyl)methylamino]prop-2-enamide
CID 108862776
ethyl 4-[[(Z)-2-cyano-3-(cyclododecylamino)-3-oxoprop-1-enyl]amino]benzoate
CID 108862533
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(Z)-2-cyano-N-cyclohexyl-3-[2-(trifluoromethyl)anilino]prop-2-enamide
CID 108831343
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835417
(Z)-2-cyano-N-cyclopentyl-3-[(2-methoxyphenyl)methylamino]prop-2-enamide
CID 108835664

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide (CID 108831412) is (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide is CCc1cccc(CC)c1N/C=C(/C#N)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide?
The InChIKey is AKDICRMFHZCTPQ-VKAVYKQESA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-15-9-8-10-16(4-2)19(15)22-14-17(13-21)20(24)23-18-11-6-5-7-12-18/h8-10,14,18,22H,3-7,11-12H2,1-2H3,(H,23,24)/b17-14-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide has a molecular weight of 325.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide is sourced from PubChem (CID 108831412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).