9-phenylnonylcarbamic acid

C16H25NO2 — CID 67252082

IUPAC9-phenylnonylcarbamic acid
SMILESO=C(O)NCCCCCCCCCc1ccccc1
InChIInChI=1S/C16H25NO2/c18-16(19)17-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13,17H,1-5,7,10-11,14H2,(H,18,19)
InChIKeyHDLAPEMWINLXAB-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.23
Rot. Bonds10

About 9-phenylnonylcarbamic acid

9-phenylnonylcarbamic acid (PubChem CID 67252082) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 9-phenylnonylcarbamic acid.

Molecular Properties

Compound Name9-phenylnonylcarbamic acid
PubChem CID67252082
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name9-phenylnonylcarbamic acid
SMILESO=C(O)NCCCCCCCCCc1ccccc1
InChIInChI=1S/C16H25NO2/c18-16(19)17-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13,17H,1-5,7,10-11,14H2,(H,18,19)
InChIKeyHDLAPEMWINLXAB-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-phenylnonylcarbamic acid?
The IUPAC name of 9-phenylnonylcarbamic acid (CID 67252082) is 9-phenylnonylcarbamic acid.
What is the SMILES notation for 9-phenylnonylcarbamic acid?
The canonical SMILES for 9-phenylnonylcarbamic acid is O=C(O)NCCCCCCCCCc1ccccc1.
What is the InChIKey of 9-phenylnonylcarbamic acid?
The InChIKey is HDLAPEMWINLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-16(19)17-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13,17H,1-5,7,10-11,14H2,(H,18,19).
What are the key properties of 9-phenylnonylcarbamic acid?
9-phenylnonylcarbamic acid has a molecular weight of 263.38 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylnonylcarbamic acid is sourced from PubChem (CID 67252082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).