(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide

C19H27NO — CID 19579728

IUPAC(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C\C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-2-16-10-12-17(13-11-16)14-15-19(21)20-18-8-6-4-3-5-7-9-18/h10-15,18H,2-9H2,1H3,(H,20,21)/b15-14-
InChIKeyXYNDANMLOODKGX-PFONDFGASA-N
MW285.43 g/mol
LogP4.49
Rot. Bonds4

About (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide

(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 19579728) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
PubChem CID19579728
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C\C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-2-16-10-12-17(13-11-16)14-15-19(21)20-18-8-6-4-3-5-7-9-18/h10-15,18H,2-9H2,1H3,(H,20,21)/b15-14-
InChIKeyXYNDANMLOODKGX-PFONDFGASA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
CID 83202117
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452
(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 19164284
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide (CID 19579728) is (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C\C(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is XYNDANMLOODKGX-PFONDFGASA-N. The full InChI is InChI=1S/C19H27NO/c1-2-16-10-12-17(13-11-16)14-15-19(21)20-18-8-6-4-3-5-7-9-18/h10-15,18H,2-9H2,1H3,(H,20,21)/b15-14-.
What are the key properties of (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide?
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 285.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 19579728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).