(3-phenylphenyl) N-butylcarbamate

C17H19NO2 — CID 24881670

IUPAC(3-phenylphenyl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-2-3-12-18-17(19)20-16-11-7-10-15(13-16)14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3,(H,18,19)
InChIKeyKILLQYKNNVPEJL-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.24
Rot. Bonds5

About (3-phenylphenyl) N-butylcarbamate

(3-phenylphenyl) N-butylcarbamate (PubChem CID 24881670) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3-phenylphenyl) N-butylcarbamate.

Molecular Properties

Compound Name(3-phenylphenyl) N-butylcarbamate
PubChem CID24881670
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3-phenylphenyl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-2-3-12-18-17(19)20-16-11-7-10-15(13-16)14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3,(H,18,19)
InChIKeyKILLQYKNNVPEJL-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.24
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-butylcarbamate?
The IUPAC name of (3-phenylphenyl) N-butylcarbamate (CID 24881670) is (3-phenylphenyl) N-butylcarbamate.
What is the SMILES notation for (3-phenylphenyl) N-butylcarbamate?
The canonical SMILES for (3-phenylphenyl) N-butylcarbamate is CCCCNC(=O)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl) N-butylcarbamate?
The InChIKey is KILLQYKNNVPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-12-18-17(19)20-16-11-7-10-15(13-16)14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3,(H,18,19).
What are the key properties of (3-phenylphenyl) N-butylcarbamate?
(3-phenylphenyl) N-butylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) N-butylcarbamate is sourced from PubChem (CID 24881670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).