(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one

C21H23NO — CID 6186115

IUPAC(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(/NC1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,22H,3,8-9,14-15H2/b20-16+
InChIKeyIUTIZUOAIKETPK-CAPFRKAQSA-N
MW305.42 g/mol
LogP4.83
Rot. Bonds5

About (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one

(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one (PubChem CID 6186115) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
PubChem CID6186115
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(/NC1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,22H,3,8-9,14-15H2/b20-16+
InChIKeyIUTIZUOAIKETPK-CAPFRKAQSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.83
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

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CID 18316782
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CID 11436176
N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
CID 174416456
3-(cyclohexylamino)-1-phenylbut-2-ene-1-thione
CID 87477337
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide
CID 70543952
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758

Frequently Asked Questions

What is the IUPAC name of (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one (CID 6186115) is (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one is O=C(/C=C(/NC1CCCCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one?
The InChIKey is IUTIZUOAIKETPK-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H23NO/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,22H,3,8-9,14-15H2/b20-16+.
What are the key properties of (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one?
(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one has a molecular weight of 305.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 6186115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).