benzyl N-(8-oxooctyl)carbamate

C16H23NO3 — CID 18991572

IUPACbenzyl N-(8-oxooctyl)carbamate
SMILESO=CCCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO3/c18-13-9-4-2-1-3-8-12-17-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11,13H,1-4,8-9,12,14H2,(H,17,19)
InChIKeyQNADSKUHEMLXJP-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.45
Rot. Bonds10

About benzyl N-(8-oxooctyl)carbamate

benzyl N-(8-oxooctyl)carbamate (PubChem CID 18991572) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is benzyl N-(8-oxooctyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(8-oxooctyl)carbamate
PubChem CID18991572
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namebenzyl N-(8-oxooctyl)carbamate
SMILESO=CCCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO3/c18-13-9-4-2-1-3-8-12-17-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11,13H,1-4,8-9,12,14H2,(H,17,19)
InChIKeyQNADSKUHEMLXJP-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

MG-132
CID 462382
Mdl-28170
CID 72430
Calpeptin
CID 73364
4-(((Benzyloxy)carbonyl)amino)butanoic acid
CID 21184
Benzyloxycarbonyl-L-phenylalanine
CID 70878
6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CID 74758
MG-115
CID 9868928
(2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate
CID 10062713
N-benzyloxycarbonyl-DL-3-phenylalanine
CID 100081
N-(Benzyloxycarbonyl)-D-phenylalanine
CID 675678
Benzyloxycarbonyl-leucyl-leucyl-norleucinal
CID 11754711
[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
CID 455772

Frequently Asked Questions

What is the IUPAC name of benzyl N-(8-oxooctyl)carbamate?
The IUPAC name of benzyl N-(8-oxooctyl)carbamate (CID 18991572) is benzyl N-(8-oxooctyl)carbamate.
What is the SMILES notation for benzyl N-(8-oxooctyl)carbamate?
The canonical SMILES for benzyl N-(8-oxooctyl)carbamate is O=CCCCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(8-oxooctyl)carbamate?
The InChIKey is QNADSKUHEMLXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-13-9-4-2-1-3-8-12-17-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11,13H,1-4,8-9,12,14H2,(H,17,19).
What are the key properties of benzyl N-(8-oxooctyl)carbamate?
benzyl N-(8-oxooctyl)carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(8-oxooctyl)carbamate is sourced from PubChem (CID 18991572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).