prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

C19H22N2O4 — CID 3146244

IUPACprop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESC=CCOC(=O)C1CC=CCC1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22N2O4/c1-3-12-25-19(24)17-7-5-4-6-16(17)18(23)21-15-10-8-14(9-11-15)20-13(2)22/h3-5,8-11,16-17H,1,6-7,12H2,2H3,(H,20,22)(H,21,23)
InChIKeyZTAVIYQYJMCSDZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.90
Rot. Bonds6

About prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (PubChem CID 3146244) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
PubChem CID3146244
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameprop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESC=CCOC(=O)C1CC=CCC1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22N2O4/c1-3-12-25-19(24)17-7-5-4-6-16(17)18(23)21-15-10-8-14(9-11-15)20-13(2)22/h3-5,8-11,16-17H,1,6-7,12H2,2H3,(H,20,22)(H,21,23)
InChIKeyZTAVIYQYJMCSDZ-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (CID 3146244) is prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is C=CCOC(=O)C1CC=CCC1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is ZTAVIYQYJMCSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-12-25-19(24)17-7-5-4-6-16(17)18(23)21-15-10-8-14(9-11-15)20-13(2)22/h3-5,8-11,16-17H,1,6-7,12H2,2H3,(H,20,22)(H,21,23).
What are the key properties of prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-[(4-acetamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 3146244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).