phenyl N-dodecylcarbamate

C19H31NO2 — CID 22731246

IUPACphenyl N-dodecylcarbamate
SMILESCCCCCCCCCCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(21)22-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,21)
InChIKeyVXMFUQFJHWRHDL-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.70
Rot. Bonds12

About phenyl N-dodecylcarbamate

phenyl N-dodecylcarbamate (PubChem CID 22731246) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is phenyl N-dodecylcarbamate.

Molecular Properties

Compound Namephenyl N-dodecylcarbamate
PubChem CID22731246
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Namephenyl N-dodecylcarbamate
SMILESCCCCCCCCCCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(21)22-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,21)
InChIKeyVXMFUQFJHWRHDL-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.70
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 phenyl N-dodecylcarbamate?
The IUPAC name of phenyl N-dodecylcarbamate (CID 22731246) is phenyl N-dodecylcarbamate.
What is the SMILES notation for phenyl N-dodecylcarbamate?
The canonical SMILES for phenyl N-dodecylcarbamate is CCCCCCCCCCCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-dodecylcarbamate?
The InChIKey is VXMFUQFJHWRHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(21)22-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,21).
What are the key properties of phenyl N-dodecylcarbamate?
phenyl N-dodecylcarbamate has a molecular weight of 305.46 g/mol, XLogP of 5.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-dodecylcarbamate is sourced from PubChem (CID 22731246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).