(3-phenylphenyl) N-(4-phenylbutyl)carbamate

C23H23NO2 — CID 24881743

IUPAC(3-phenylphenyl) N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c25-23(24-17-8-7-12-19-10-3-1-4-11-19)26-22-16-9-15-21(18-22)20-13-5-2-6-14-20/h1-6,9-11,13-16,18H,7-8,12,17H2,(H,24,25)
InChIKeyWZSGWNPOHRAUQO-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.46
Rot. Bonds7

About (3-phenylphenyl) N-(4-phenylbutyl)carbamate

(3-phenylphenyl) N-(4-phenylbutyl)carbamate (PubChem CID 24881743) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3-phenylphenyl) N-(4-phenylbutyl)carbamate.

Molecular Properties

Compound Name(3-phenylphenyl) N-(4-phenylbutyl)carbamate
PubChem CID24881743
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(3-phenylphenyl) N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c25-23(24-17-8-7-12-19-10-3-1-4-11-19)26-22-16-9-15-21(18-22)20-13-5-2-6-14-20/h1-6,9-11,13-16,18H,7-8,12,17H2,(H,24,25)
InChIKeyWZSGWNPOHRAUQO-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.46
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-(4-phenylbutyl)carbamate?
The IUPAC name of (3-phenylphenyl) N-(4-phenylbutyl)carbamate (CID 24881743) is (3-phenylphenyl) N-(4-phenylbutyl)carbamate.
What is the SMILES notation for (3-phenylphenyl) N-(4-phenylbutyl)carbamate?
The canonical SMILES for (3-phenylphenyl) N-(4-phenylbutyl)carbamate is O=C(NCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl) N-(4-phenylbutyl)carbamate?
The InChIKey is WZSGWNPOHRAUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(24-17-8-7-12-19-10-3-1-4-11-19)26-22-16-9-15-21(18-22)20-13-5-2-6-14-20/h1-6,9-11,13-16,18H,7-8,12,17H2,(H,24,25).
What are the key properties of (3-phenylphenyl) N-(4-phenylbutyl)carbamate?
(3-phenylphenyl) N-(4-phenylbutyl)carbamate has a molecular weight of 345.44 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) N-(4-phenylbutyl)carbamate is sourced from PubChem (CID 24881743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).