[(Z)-17-phenylheptadec-8-enyl]carbamic acid

C24H39NO2 — CID 66995298

IUPAC[(Z)-17-phenylheptadec-8-enyl]carbamic acid
SMILESO=C(O)NCCCCCCC/C=C\CCCCCCCCc1ccccc1
InChIInChI=1S/C24H39NO2/c26-24(27)25-22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h1,3,14,16-17,20-21,25H,2,4-13,15,18-19,22H2,(H,26,27)/b3-1-
InChIKeyDFQSMGKARVIPJV-IWQZZHSRSA-N
MW373.58 g/mol
LogP7.12
Rot. Bonds17

About [(Z)-17-phenylheptadec-8-enyl]carbamic acid

[(Z)-17-phenylheptadec-8-enyl]carbamic acid (PubChem CID 66995298) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is [(Z)-17-phenylheptadec-8-enyl]carbamic acid.

Molecular Properties

Compound Name[(Z)-17-phenylheptadec-8-enyl]carbamic acid
PubChem CID66995298
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name[(Z)-17-phenylheptadec-8-enyl]carbamic acid
SMILESO=C(O)NCCCCCCC/C=C\CCCCCCCCc1ccccc1
InChIInChI=1S/C24H39NO2/c26-24(27)25-22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h1,3,14,16-17,20-21,25H,2,4-13,15,18-19,22H2,(H,26,27)/b3-1-
InChIKeyDFQSMGKARVIPJV-IWQZZHSRSA-N
XLogP7.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z)-17-phenylheptadec-8-enyl]carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-17-phenylheptadec-8-enyl]carbamic acid?
The IUPAC name of [(Z)-17-phenylheptadec-8-enyl]carbamic acid (CID 66995298) is [(Z)-17-phenylheptadec-8-enyl]carbamic acid.
What is the SMILES notation for [(Z)-17-phenylheptadec-8-enyl]carbamic acid?
The canonical SMILES for [(Z)-17-phenylheptadec-8-enyl]carbamic acid is O=C(O)NCCCCCCC/C=C\CCCCCCCCc1ccccc1.
What is the InChIKey of [(Z)-17-phenylheptadec-8-enyl]carbamic acid?
The InChIKey is DFQSMGKARVIPJV-IWQZZHSRSA-N. The full InChI is InChI=1S/C24H39NO2/c26-24(27)25-22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h1,3,14,16-17,20-21,25H,2,4-13,15,18-19,22H2,(H,26,27)/b3-1-.
What are the key properties of [(Z)-17-phenylheptadec-8-enyl]carbamic acid?
[(Z)-17-phenylheptadec-8-enyl]carbamic acid has a molecular weight of 373.58 g/mol, XLogP of 7.12, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-17-phenylheptadec-8-enyl]carbamic acid is sourced from PubChem (CID 66995298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).