(3-phenylphenyl) N-hexylcarbamate

C19H23NO2 — CID 24881671

IUPAC(3-phenylphenyl) N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-2-3-4-8-14-20-19(21)22-18-13-9-12-17(15-18)16-10-6-5-7-11-16/h5-7,9-13,15H,2-4,8,14H2,1H3,(H,20,21)
InChIKeyQPTMPZNXKZNQMF-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.02
Rot. Bonds7

About (3-phenylphenyl) N-hexylcarbamate

(3-phenylphenyl) N-hexylcarbamate (PubChem CID 24881671) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3-phenylphenyl) N-hexylcarbamate.

Molecular Properties

Compound Name(3-phenylphenyl) N-hexylcarbamate
PubChem CID24881671
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3-phenylphenyl) N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-2-3-4-8-14-20-19(21)22-18-13-9-12-17(15-18)16-10-6-5-7-11-16/h5-7,9-13,15H,2-4,8,14H2,1H3,(H,20,21)
InChIKeyQPTMPZNXKZNQMF-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-phenylphenyl) N-hexylcarbamate?
The IUPAC name of (3-phenylphenyl) N-hexylcarbamate (CID 24881671) is (3-phenylphenyl) N-hexylcarbamate.
What is the SMILES notation for (3-phenylphenyl) N-hexylcarbamate?
The canonical SMILES for (3-phenylphenyl) N-hexylcarbamate is CCCCCCNC(=O)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl) N-hexylcarbamate?
The InChIKey is QPTMPZNXKZNQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-3-4-8-14-20-19(21)22-18-13-9-12-17(15-18)16-10-6-5-7-11-16/h5-7,9-13,15H,2-4,8,14H2,1H3,(H,20,21).
What are the key properties of (3-phenylphenyl) N-hexylcarbamate?
(3-phenylphenyl) N-hexylcarbamate has a molecular weight of 297.40 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) N-hexylcarbamate is sourced from PubChem (CID 24881671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).