methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate

C19H25NO3 — CID 25180548

IUPACmethyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate
SMILESCOC(=O)C1(CCc2ccccc2)CN(C2CCCCC2)C1=O
InChIInChI=1S/C19H25NO3/c1-23-18(22)19(13-12-15-8-4-2-5-9-15)14-20(17(19)21)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3
InChIKeyJHWNCXXBEFKQID-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.95
Rot. Bonds5

About methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate

methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate (PubChem CID 25180548) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate
PubChem CID25180548
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Namemethyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate
SMILESCOC(=O)C1(CCc2ccccc2)CN(C2CCCCC2)C1=O
InChIInChI=1S/C19H25NO3/c1-23-18(22)19(13-12-15-8-4-2-5-9-15)14-20(17(19)21)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3
InChIKeyJHWNCXXBEFKQID-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate?
The IUPAC name of methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate (CID 25180548) is methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate is COC(=O)C1(CCc2ccccc2)CN(C2CCCCC2)C1=O.
What is the InChIKey of methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate?
The InChIKey is JHWNCXXBEFKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-23-18(22)19(13-12-15-8-4-2-5-9-15)14-20(17(19)21)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3.
What are the key properties of methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate?
methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate is sourced from PubChem (CID 25180548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).