(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H29NO — CID 6267818

IUPAC(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C20H29NO/c1-16(2)18-13-10-17(11-14-18)12-15-20(22)21-19-8-6-4-3-5-7-9-19/h10-16,19H,3-9H2,1-2H3,(H,21,22)/b15-12+
InChIKeyPDDXXBWIHDVKQX-NTCAYCPXSA-N
MW299.46 g/mol
LogP5.05
Rot. Bonds4

About (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 6267818) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID6267818
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C20H29NO/c1-16(2)18-13-10-17(11-14-18)12-15-20(22)21-19-8-6-4-3-5-7-9-19/h10-16,19H,3-9H2,1-2H3,(H,21,22)/b15-12+
InChIKeyPDDXXBWIHDVKQX-NTCAYCPXSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.05
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-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
CID 115344773
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 6267818) is (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is PDDXXBWIHDVKQX-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H29NO/c1-16(2)18-13-10-17(11-14-18)12-15-20(22)21-19-8-6-4-3-5-7-9-19/h10-16,19H,3-9H2,1-2H3,(H,21,22)/b15-12+.
What are the key properties of (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 299.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6267818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).