(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide

C20H26N2O2 — CID 19175534

IUPAC(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
SMILESCCCCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-13-24-19-11-9-16(10-12-19)14-17(15-21)20(23)22-18-7-5-4-6-8-18/h9-12,14,18H,2-8,13H2,1H3,(H,22,23)/b17-14-
InChIKeyRVCRHJMTCWXERM-VKAVYKQESA-N
MW326.44 g/mol
LogP4.22
Rot. Bonds7

About (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide

(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide (PubChem CID 19175534) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
PubChem CID19175534
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
SMILESCCCCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-13-24-19-11-9-16(10-12-19)14-17(15-21)20(23)22-18-7-5-4-6-8-18/h9-12,14,18H,2-8,13H2,1H3,(H,22,23)/b17-14-
InChIKeyRVCRHJMTCWXERM-VKAVYKQESA-N
XLogP4.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
(Z)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19183837
(2S)-2-[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 801668
2-cyano-N-cyclohexyl-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 3674797
methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate
CID 17373364
(E)-3-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 6297702
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 5138750
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540
(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 17278002
(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide?
The IUPAC name of (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide (CID 19175534) is (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide is CCCCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide?
The InChIKey is RVCRHJMTCWXERM-VKAVYKQESA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-3-13-24-19-11-9-16(10-12-19)14-17(15-21)20(23)22-18-7-5-4-6-8-18/h9-12,14,18H,2-8,13H2,1H3,(H,22,23)/b17-14-.
What are the key properties of (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide?
(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide has a molecular weight of 326.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide is sourced from PubChem (CID 19175534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).