(2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate

C31H47NO2 — CID 141284600

IUPAC(2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate
SMILESCCCCCCCCc1ccc(OC(=O)Nc2ccc(C)cc2C)c(CCCCCCCC)c1
InChIInChI=1S/C31H47NO2/c1-5-7-9-11-13-15-17-27-20-22-30(28(24-27)18-16-14-12-10-8-6-2)34-31(33)32-29-21-19-25(3)23-26(29)4/h19-24H,5-18H2,1-4H3,(H,32,33)
InChIKeyYKOAIXQCNJQIIU-UHFFFAOYSA-N
MW465.72 g/mol
LogP9.72
Rot. Bonds16

About (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate

(2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate (PubChem CID 141284600) has the molecular formula C31H47NO2 and a molecular weight of 465.72 g/mol. Its IUPAC name is (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate
PubChem CID141284600
Molecular FormulaC31H47NO2
Molecular Weight465.72 g/mol
Exact Mass465.36
IUPAC Name(2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate
SMILESCCCCCCCCc1ccc(OC(=O)Nc2ccc(C)cc2C)c(CCCCCCCC)c1
InChIInChI=1S/C31H47NO2/c1-5-7-9-11-13-15-17-27-20-22-30(28(24-27)18-16-14-12-10-8-6-2)34-31(33)32-29-21-19-25(3)23-26(29)4/h19-24H,5-18H2,1-4H3,(H,32,33)
InChIKeyYKOAIXQCNJQIIU-UHFFFAOYSA-N
XLogP9.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.72
LogP ≤ 59.72
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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Related Compounds

(2,4-diethylphenyl) N-(2,4-dimethylphenyl)carbamate
CID 141368036
bis[2,4-di(nonyl)phenyl] carbonate
CID 141039917
bis(2,4-dipentylphenyl) benzene-1,4-dicarboxylate
CID 70631411
(2,4-dioctadecylphenyl) 4-hydroxy-3,5-di(pentadecyl)benzoate
CID 21424405
bis(2,4-dibutylphenyl) benzene-1,4-dicarboxylate
CID 70631476
[4-methyl-2-[2-(4-pentylphenyl)acetyl]oxyphenyl] 2-(4-pentylphenyl)acetate
CID 20688232
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
(2,4-didecylphenoxy)boronic acid
CID 157267410
(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate
CID 3311503
(2-dodecylphenyl) N-phenylcarbamate
CID 141284635
(2-butyl-4-methylphenyl) benzoate
CID 70578345
(2,4-dibutylphenyl) 3,5-dibutyl-4-hydroxybenzoate
CID 66825236

Frequently Asked Questions

What is the IUPAC name of (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate?
The IUPAC name of (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate (CID 141284600) is (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate.
What is the SMILES notation for (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate?
The canonical SMILES for (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate is CCCCCCCCc1ccc(OC(=O)Nc2ccc(C)cc2C)c(CCCCCCCC)c1.
What is the InChIKey of (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate?
The InChIKey is YKOAIXQCNJQIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47NO2/c1-5-7-9-11-13-15-17-27-20-22-30(28(24-27)18-16-14-12-10-8-6-2)34-31(33)32-29-21-19-25(3)23-26(29)4/h19-24H,5-18H2,1-4H3,(H,32,33).
What are the key properties of (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate?
(2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate has a molecular weight of 465.72 g/mol, XLogP of 9.72, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioctylphenyl) N-(2,4-dimethylphenyl)carbamate is sourced from PubChem (CID 141284600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).