benzyl N-(8-bromooctyl)carbamate

C16H24BrNO2 — CID 86200547

IUPACbenzyl N-(8-bromooctyl)carbamate
SMILESO=C(NCCCCCCCCBr)OCc1ccccc1
InChIInChI=1S/C16H24BrNO2/c17-12-8-3-1-2-4-9-13-18-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14H2,(H,18,19)
InChIKeyUWKGADGPRBHDLF-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.65
Rot. Bonds10

About benzyl N-(8-bromooctyl)carbamate

benzyl N-(8-bromooctyl)carbamate (PubChem CID 86200547) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is benzyl N-(8-bromooctyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(8-bromooctyl)carbamate
PubChem CID86200547
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Namebenzyl N-(8-bromooctyl)carbamate
SMILESO=C(NCCCCCCCCBr)OCc1ccccc1
InChIInChI=1S/C16H24BrNO2/c17-12-8-3-1-2-4-9-13-18-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14H2,(H,18,19)
InChIKeyUWKGADGPRBHDLF-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-(5-aminooxypentyl)carbamate;hydrochloride
CID 165436022
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654
3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
benzyl N-(6-methylheptyl)carbamate
CID 59918495
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832

Frequently Asked Questions

What is the IUPAC name of benzyl N-(8-bromooctyl)carbamate?
The IUPAC name of benzyl N-(8-bromooctyl)carbamate (CID 86200547) is benzyl N-(8-bromooctyl)carbamate.
What is the SMILES notation for benzyl N-(8-bromooctyl)carbamate?
The canonical SMILES for benzyl N-(8-bromooctyl)carbamate is O=C(NCCCCCCCCBr)OCc1ccccc1.
What is the InChIKey of benzyl N-(8-bromooctyl)carbamate?
The InChIKey is UWKGADGPRBHDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c17-12-8-3-1-2-4-9-13-18-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14H2,(H,18,19).
What are the key properties of benzyl N-(8-bromooctyl)carbamate?
benzyl N-(8-bromooctyl)carbamate has a molecular weight of 342.28 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(8-bromooctyl)carbamate is sourced from PubChem (CID 86200547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).