benzyl N-(1-hydroxyoctan-3-yl)carbamate

C16H25NO3 — CID 121391580

IUPACbenzyl N-(1-hydroxyoctan-3-yl)carbamate
SMILESCCCCCC(CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-2-3-5-10-15(11-12-18)17-16(19)20-13-14-8-6-4-7-9-14/h4,6-9,15,18H,2-3,5,10-13H2,1H3,(H,17,19)
InChIKeyLIAPWXAYVHXUDV-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.24
Rot. Bonds9

About benzyl N-(1-hydroxyoctan-3-yl)carbamate

benzyl N-(1-hydroxyoctan-3-yl)carbamate (PubChem CID 121391580) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is benzyl N-(1-hydroxyoctan-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-hydroxyoctan-3-yl)carbamate
PubChem CID121391580
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namebenzyl N-(1-hydroxyoctan-3-yl)carbamate
SMILESCCCCCC(CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-2-3-5-10-15(11-12-18)17-16(19)20-13-14-8-6-4-7-9-14/h4,6-9,15,18H,2-3,5,10-13H2,1H3,(H,17,19)
InChIKeyLIAPWXAYVHXUDV-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-undec-1-en-4-ylcarbamate
CID 10924709
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
benzyl N-[(3S)-1-hydroxy-5-oxohexan-3-yl]carbamate
CID 59066093
benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate
CID 59693746
ethyl (5R)-3-oxo-5-(phenylmethoxycarbonylamino)dodecanoate
CID 102081203
benzyl N-[(2S,3S)-1,3-dihydroxytridecan-2-yl]carbamate
CID 140979955
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-(1-hydroxy-8,8-dimethyl-7-oxononan-5-yl)carbamate
CID 101132164
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
benzyl N-[(3R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 91609031
benzyl N-[(2S,3R)-2-methyl-1-oxodecan-3-yl]carbamate
CID 10757993
cyclohexyl (3R)-3-(phenylmethoxycarbonylamino)nonane-1-sulfonate
CID 11553966

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-hydroxyoctan-3-yl)carbamate?
The IUPAC name of benzyl N-(1-hydroxyoctan-3-yl)carbamate (CID 121391580) is benzyl N-(1-hydroxyoctan-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-hydroxyoctan-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-hydroxyoctan-3-yl)carbamate is CCCCCC(CCO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-hydroxyoctan-3-yl)carbamate?
The InChIKey is LIAPWXAYVHXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-5-10-15(11-12-18)17-16(19)20-13-14-8-6-4-7-9-14/h4,6-9,15,18H,2-3,5,10-13H2,1H3,(H,17,19).
What are the key properties of benzyl N-(1-hydroxyoctan-3-yl)carbamate?
benzyl N-(1-hydroxyoctan-3-yl)carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-hydroxyoctan-3-yl)carbamate is sourced from PubChem (CID 121391580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).