[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate

C15H31NO2 — CID 134419359

IUPAC[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
SMILESCCCCCCCCNC(=O)O[C@H](C)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-10-11-12-16-14(17)18-13(2)15(3,4)5/h13H,6-12H2,1-5H3,(H,16,17)/t13-/m1/s1
InChIKeyJHXUZCFYNNOPPV-CYBMUJFWSA-N
MW257.42 g/mol
LogP4.51
Rot. Bonds8

About [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate

[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate (PubChem CID 134419359) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate.

Molecular Properties

Compound Name[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
PubChem CID134419359
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
SMILESCCCCCCCCNC(=O)O[C@H](C)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-10-11-12-16-14(17)18-13(2)15(3,4)5/h13H,6-12H2,1-5H3,(H,16,17)/t13-/m1/s1
InChIKeyJHXUZCFYNNOPPV-CYBMUJFWSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.51
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

[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
tert-butyl N-nonylcarbamate;ethane
CID 168941348
methyl N-nonylcarbamate
CID 5102101
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
nonylcarbamoperoxoic acid
CID 140999734
1-cyclohexylethyl N-nonylcarbamate
CID 123611049
N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid
CID 173269465
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
octadecylcarbamoyl 2-ethylhexanoate
CID 18352248
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate?
The IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate (CID 134419359) is [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate.
What is the SMILES notation for [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate?
The canonical SMILES for [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate is CCCCCCCCNC(=O)O[C@H](C)C(C)(C)C.
What is the InChIKey of [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate?
The InChIKey is JHXUZCFYNNOPPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-7-8-9-10-11-12-16-14(17)18-13(2)15(3,4)5/h13H,6-12H2,1-5H3,(H,16,17)/t13-/m1/s1.
What are the key properties of [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate?
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate has a molecular weight of 257.42 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate is sourced from PubChem (CID 134419359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).