oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate

C19H23NO4 — CID 2832666

IUPACoxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate
SMILESO=C(Nc1ccccc1)C1CC=CCC1C(=O)OCC1CCCO1
InChIInChI=1S/C19H23NO4/c21-18(20-14-7-2-1-3-8-14)16-10-4-5-11-17(16)19(22)24-13-15-9-6-12-23-15/h1-5,7-8,15-17H,6,9-13H2,(H,20,21)
InChIKeyCZCCSGOHGQOHTD-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.93
Rot. Bonds5

About oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate

oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate (PubChem CID 2832666) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate
PubChem CID2832666
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameoxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate
SMILESO=C(Nc1ccccc1)C1CC=CCC1C(=O)OCC1CCCO1
InChIInChI=1S/C19H23NO4/c21-18(20-14-7-2-1-3-8-14)16-10-4-5-11-17(16)19(22)24-13-15-9-6-12-23-15/h1-5,7-8,15-17H,6,9-13H2,(H,20,21)
InChIKeyCZCCSGOHGQOHTD-UHFFFAOYSA-N
XLogP2.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate (CID 2832666) is oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate is O=C(Nc1ccccc1)C1CC=CCC1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is CZCCSGOHGQOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-18(20-14-7-2-1-3-8-14)16-10-4-5-11-17(16)19(22)24-13-15-9-6-12-23-15/h1-5,7-8,15-17H,6,9-13H2,(H,20,21).
What are the key properties of oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate?
oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 2832666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).