(2-dodecylphenyl) N-phenylcarbamate

C25H35NO2 — CID 141284635

IUPAC(2-dodecylphenyl) N-phenylcarbamate
SMILESCCCCCCCCCCCCc1ccccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C25H35NO2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)28-25(27)26-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3,(H,26,27)
InChIKeyWGGSELCTZVDVGN-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.76
Rot. Bonds13

About (2-dodecylphenyl) N-phenylcarbamate

(2-dodecylphenyl) N-phenylcarbamate (PubChem CID 141284635) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is (2-dodecylphenyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-dodecylphenyl) N-phenylcarbamate
PubChem CID141284635
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name(2-dodecylphenyl) N-phenylcarbamate
SMILESCCCCCCCCCCCCc1ccccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C25H35NO2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)28-25(27)26-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3,(H,26,27)
InChIKeyWGGSELCTZVDVGN-UHFFFAOYSA-N
XLogP7.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2-dodecylphenyl) N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-pentylphenyl) hydrogen carbonate
CID 66866102
(2-hexylphenyl) propanoate
CID 173224312
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
ethyl (2-heptylphenyl) carbonate
CID 67181360
(2-octadecylphenyl) 2-methylprop-2-enoate
CID 141143341
(2-pentadecylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298599
octyl (2-pentylphenyl) carbonate
CID 67181173
butyl (2-decylphenyl) carbonate
CID 67182932
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
(2-methylphenyl) (2-octylphenyl) carbonate
CID 67181635
(2-butylphenyl) heptanoate
CID 174752074
2-(2-dodecylphenoxy)acetic acid
CID 572415

Frequently Asked Questions

What is the IUPAC name of (2-dodecylphenyl) N-phenylcarbamate?
The IUPAC name of (2-dodecylphenyl) N-phenylcarbamate (CID 141284635) is (2-dodecylphenyl) N-phenylcarbamate.
What is the SMILES notation for (2-dodecylphenyl) N-phenylcarbamate?
The canonical SMILES for (2-dodecylphenyl) N-phenylcarbamate is CCCCCCCCCCCCc1ccccc1OC(=O)Nc1ccccc1.
What is the InChIKey of (2-dodecylphenyl) N-phenylcarbamate?
The InChIKey is WGGSELCTZVDVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)28-25(27)26-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3,(H,26,27).
What are the key properties of (2-dodecylphenyl) N-phenylcarbamate?
(2-dodecylphenyl) N-phenylcarbamate has a molecular weight of 381.56 g/mol, XLogP of 7.76, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecylphenyl) N-phenylcarbamate is sourced from PubChem (CID 141284635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).