(3-phenylphenyl) N-(6-phenylhexyl)carbamate

C25H27NO2 — CID 24881806

IUPAC(3-phenylphenyl) N-(6-phenylhexyl)carbamate
SMILESO=C(NCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c27-25(26-19-10-2-1-5-12-21-13-6-3-7-14-21)28-24-18-11-17-23(20-24)22-15-8-4-9-16-22/h3-4,6-9,11,13-18,20H,1-2,5,10,12,19H2,(H,26,27)
InChIKeyMGXPWHVQDGCMAC-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.25
Rot. Bonds9

About (3-phenylphenyl) N-(6-phenylhexyl)carbamate

(3-phenylphenyl) N-(6-phenylhexyl)carbamate (PubChem CID 24881806) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3-phenylphenyl) N-(6-phenylhexyl)carbamate.

Molecular Properties

Compound Name(3-phenylphenyl) N-(6-phenylhexyl)carbamate
PubChem CID24881806
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(3-phenylphenyl) N-(6-phenylhexyl)carbamate
SMILESO=C(NCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c27-25(26-19-10-2-1-5-12-21-13-6-3-7-14-21)28-24-18-11-17-23(20-24)22-15-8-4-9-16-22/h3-4,6-9,11,13-18,20H,1-2,5,10,12,19H2,(H,26,27)
InChIKeyMGXPWHVQDGCMAC-UHFFFAOYSA-N
XLogP6.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.25
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-(6-phenylhexyl)carbamate?
The IUPAC name of (3-phenylphenyl) N-(6-phenylhexyl)carbamate (CID 24881806) is (3-phenylphenyl) N-(6-phenylhexyl)carbamate.
What is the SMILES notation for (3-phenylphenyl) N-(6-phenylhexyl)carbamate?
The canonical SMILES for (3-phenylphenyl) N-(6-phenylhexyl)carbamate is O=C(NCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl) N-(6-phenylhexyl)carbamate?
The InChIKey is MGXPWHVQDGCMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c27-25(26-19-10-2-1-5-12-21-13-6-3-7-14-21)28-24-18-11-17-23(20-24)22-15-8-4-9-16-22/h3-4,6-9,11,13-18,20H,1-2,5,10,12,19H2,(H,26,27).
What are the key properties of (3-phenylphenyl) N-(6-phenylhexyl)carbamate?
(3-phenylphenyl) N-(6-phenylhexyl)carbamate has a molecular weight of 373.50 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) N-(6-phenylhexyl)carbamate is sourced from PubChem (CID 24881806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).