dodecyl N-phenylcarbamate

C19H31NO2 — CID 521818

IUPACdodecyl N-phenylcarbamate
SMILESCCCCCCCCCCCCOC(=O)Nc1ccccc1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-22-19(21)20-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,21)
InChIKeyUATVIVWPWXCCFM-UHFFFAOYSA-N
MW305.46 g/mol
LogP6.16
Rot. Bonds12

About dodecyl N-phenylcarbamate

dodecyl N-phenylcarbamate (PubChem CID 521818) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is dodecyl N-phenylcarbamate.

Molecular Properties

Compound Namedodecyl N-phenylcarbamate
PubChem CID521818
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Namedodecyl N-phenylcarbamate
SMILESCCCCCCCCCCCCOC(=O)Nc1ccccc1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-22-19(21)20-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,21)
InChIKeyUATVIVWPWXCCFM-UHFFFAOYSA-N
XLogP6.16
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 ≤ 56.16
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

dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
CID 71586856
butyl N-(phenylcarbamoyl)carbamate
CID 67363969

Frequently Asked Questions

What is the IUPAC name of dodecyl N-phenylcarbamate?
The IUPAC name of dodecyl N-phenylcarbamate (CID 521818) is dodecyl N-phenylcarbamate.
What is the SMILES notation for dodecyl N-phenylcarbamate?
The canonical SMILES for dodecyl N-phenylcarbamate is CCCCCCCCCCCCOC(=O)Nc1ccccc1.
What is the InChIKey of dodecyl N-phenylcarbamate?
The InChIKey is UATVIVWPWXCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-22-19(21)20-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,21).
What are the key properties of dodecyl N-phenylcarbamate?
dodecyl N-phenylcarbamate has a molecular weight of 305.46 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl N-phenylcarbamate is sourced from PubChem (CID 521818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).