benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate

C23H19NO3 — CID 71620205

IUPACbenzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate
SMILESO=C(N/C(=C\C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H19NO3/c25-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)24-23(26)27-17-18-10-4-1-5-11-18/h1-16H,17H2,(H,24,26)/b21-16-
InChIKeyHDBMSYANMKDITF-PGMHBOJBSA-N
MW357.41 g/mol
LogP4.84
Rot. Bonds6

About benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate

benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate (PubChem CID 71620205) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate
PubChem CID71620205
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Namebenzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate
SMILESO=C(N/C(=C\C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H19NO3/c25-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)24-23(26)27-17-18-10-4-1-5-11-18/h1-16H,17H2,(H,24,26)/b21-16-
InChIKeyHDBMSYANMKDITF-PGMHBOJBSA-N
XLogP4.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate?
The IUPAC name of benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate (CID 71620205) is benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate.
What is the SMILES notation for benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate?
The canonical SMILES for benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate is O=C(N/C(=C\C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate?
The InChIKey is HDBMSYANMKDITF-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)24-23(26)27-17-18-10-4-1-5-11-18/h1-16H,17H2,(H,24,26)/b21-16-.
What are the key properties of benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate?
benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate has a molecular weight of 357.41 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(Z)-3-oxo-1,3-diphenylprop-1-enyl]carbamate is sourced from PubChem (CID 71620205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).