3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one

C20H25Cl2NO2 — CID 22102480

IUPAC3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccc(Cl)c(Cl)c2)COC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H25Cl2NO2/c1-2-10-20(16-8-9-17(21)18(22)11-16)13-23(19(24)25-14-20)12-15-6-4-3-5-7-15/h2,8-9,11,15H,1,3-7,10,12-14H2
InChIKeyYTDBSSWZYMCYPH-UHFFFAOYSA-N
MW382.33 g/mol
LogP5.84
Rot. Bonds5

About 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one

3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 22102480) has the molecular formula C20H25Cl2NO2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID22102480
Molecular FormulaC20H25Cl2NO2
Molecular Weight382.33 g/mol
Exact Mass381.13
IUPAC Name3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccc(Cl)c(Cl)c2)COC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H25Cl2NO2/c1-2-10-20(16-8-9-17(21)18(22)11-16)13-23(19(24)25-14-20)12-15-6-4-3-5-7-15/h2,8-9,11,15H,1,3-7,10,12-14H2
InChIKeyYTDBSSWZYMCYPH-UHFFFAOYSA-N
XLogP5.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+/-)-threo-N-Benzyl-3'',4''-dichlororitalinol methylether
CID 52949474
1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
CID 58954835
4a-(3,4-dichlorophenyl)-3-methyloctahydro-2H-benzo[e][1,3]oxazine
CID 58954910
Ethyl 4-cyclohexyl-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carboxylate
CID 172434809
Ethyl 1-[2-(3,4-dichlorophenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 172438691
tert-butyl (1S,6R)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]hept-4-ene-3-carboxylate
CID 59256044
Methyl 2a(1aacetylpiperidina2ayl)a2a(3,4adichlorophenyl)acetate
CID 73309740
3-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 15886676
3-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 142664984
3-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 142664985
3-Benzyl-5-(3,4-dichlorophenyl)-5-(2-hydroxyethyl)-4-(trifluoromethyl)-1,3-oxazinan-2-one
CID 151525035
tert-butyl 4-[(1S)-1-(3,4-dichlorophenyl)-2-hydroxyethyl]piperidine-1-carboxylate
CID 166438955

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one (CID 22102480) is 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one is C=CCC1(c2ccc(Cl)c(Cl)c2)COC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is YTDBSSWZYMCYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO2/c1-2-10-20(16-8-9-17(21)18(22)11-16)13-23(19(24)25-14-20)12-15-6-4-3-5-7-15/h2,8-9,11,15H,1,3-7,10,12-14H2.
What are the key properties of 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one?
3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 382.33 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 22102480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).