octyl N-benzylcarbamate

C16H25NO2 — CID 18954165

IUPACoctyl N-benzylcarbamate
SMILESCCCCCCCCOC(=O)NCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-19-16(18)17-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKeyNFELNQQARSWWAG-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.27
Rot. Bonds9

About octyl N-benzylcarbamate

octyl N-benzylcarbamate (PubChem CID 18954165) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is octyl N-benzylcarbamate.

Molecular Properties

Compound Nameoctyl N-benzylcarbamate
PubChem CID18954165
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameoctyl N-benzylcarbamate
SMILESCCCCCCCCOC(=O)NCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-19-16(18)17-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKeyNFELNQQARSWWAG-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.27
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

Buramate
CID 20787
Ethyl benzylcarbamate
CID 75801
(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
ethyl N-(2-phenylethyl)carbamate
CID 247630
Benzyl 1-phenylethylcarbamate
CID 9837961
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
methyl N-benzylcarbamate
CID 232620
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
Methyl 3-{[(methoxycarbonyl)amino]methyl}benzylcarbamate
CID 756957
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765

Frequently Asked Questions

What is the IUPAC name of octyl N-benzylcarbamate?
The IUPAC name of octyl N-benzylcarbamate (CID 18954165) is octyl N-benzylcarbamate.
What is the SMILES notation for octyl N-benzylcarbamate?
The canonical SMILES for octyl N-benzylcarbamate is CCCCCCCCOC(=O)NCc1ccccc1.
What is the InChIKey of octyl N-benzylcarbamate?
The InChIKey is NFELNQQARSWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-19-16(18)17-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18).
What are the key properties of octyl N-benzylcarbamate?
octyl N-benzylcarbamate has a molecular weight of 263.38 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-benzylcarbamate is sourced from PubChem (CID 18954165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).