(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

C18H23F2NO2 — CID 7962251

IUPAC(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NC1CCCCCCC1
InChIInChI=1S/C18H23F2NO2/c19-18(20)23-16-11-8-14(9-12-16)10-13-17(22)21-15-6-4-2-1-3-5-7-15/h8-13,15,18H,1-7H2,(H,21,22)/b13-10+
InChIKeyKZVFUPNDHPCPHV-JLHYYAGUSA-N
MW323.38 g/mol
LogP4.53
Rot. Bonds5

About (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 7962251) has the molecular formula C18H23F2NO2 and a molecular weight of 323.38 g/mol. Its IUPAC name is (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID7962251
Molecular FormulaC18H23F2NO2
Molecular Weight323.38 g/mol
Exact Mass323.17
IUPAC Name(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NC1CCCCCCC1
InChIInChI=1S/C18H23F2NO2/c19-18(20)23-16-11-8-14(9-12-16)10-13-17(22)21-15-6-4-2-1-3-5-7-15/h8-13,15,18H,1-7H2,(H,21,22)/b13-10+
InChIKeyKZVFUPNDHPCPHV-JLHYYAGUSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 6905797
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CID 7962251) is (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(OC(F)F)cc1)NC1CCCCCCC1.
What is the InChIKey of (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is KZVFUPNDHPCPHV-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H23F2NO2/c19-18(20)23-16-11-8-14(9-12-16)10-13-17(22)21-15-6-4-2-1-3-5-7-15/h8-13,15,18H,1-7H2,(H,21,22)/b13-10+.
What are the key properties of (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 323.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 7962251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).