(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide

C17H22BrNO — CID 2684563

IUPAC(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NC1CCCCCCC1
InChIInChI=1S/C17H22BrNO/c18-15-8-6-7-14(13-15)11-12-17(20)19-16-9-4-2-1-3-5-10-16/h6-8,11-13,16H,1-5,9-10H2,(H,19,20)/b12-11+
InChIKeyZBTSRJMIYOWEDI-VAWYXSNFSA-N
MW336.27 g/mol
LogP4.69
Rot. Bonds3

About (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide

(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide (PubChem CID 2684563) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
PubChem CID2684563
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NC1CCCCCCC1
InChIInChI=1S/C17H22BrNO/c18-15-8-6-7-14(13-15)11-12-17(20)19-16-9-4-2-1-3-5-10-16/h6-8,11-13,16H,1-5,9-10H2,(H,19,20)/b12-11+
InChIKeyZBTSRJMIYOWEDI-VAWYXSNFSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.69
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

3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453
(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549911
[2-(cyclohexylamino)-2-oxoethyl] 3-(3-bromophenyl)prop-2-enoate
CID 4802335
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
(E)-3-(3-bromophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide
CID 9264849
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919830
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide (CID 2684563) is (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide is O=C(/C=C/c1cccc(Br)c1)NC1CCCCCCC1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide?
The InChIKey is ZBTSRJMIYOWEDI-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H22BrNO/c18-15-8-6-7-14(13-15)11-12-17(20)19-16-9-4-2-1-3-5-10-16/h6-8,11-13,16H,1-5,9-10H2,(H,19,20)/b12-11+.
What are the key properties of (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide?
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide has a molecular weight of 336.27 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide is sourced from PubChem (CID 2684563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).