[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate

C9H18N2O4 — CID 4064

💊View drug profile → meprobamate
IUPAC[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
SMILESCCCC(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyNPPQSCRMBWNHMW-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.98
Rot. Bonds6

About [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate

[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate (PubChem CID 4064) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate.

Molecular Properties

Compound Name[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
PubChem CID4064
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
SMILESCCCC(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyNPPQSCRMBWNHMW-UHFFFAOYSA-N
XLogP0.98
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
(2-methyl-2-propylpentyl) acetate
CID 89417633
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
CID 134348106
2,2-dimethoxypentyl carbamate
CID 174780889
1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane
CID 87349470
4-methyl-4-propylheptanamide
CID 90273698
2-fluoro-2-methylpentanamide
CID 134346431
[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
CID 45110489
[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-(2-deuteriopropan-2-yl)carbamate
CID 45110488
[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
CID 129094110
[2-[(4-benzoylbenzoyl)oxymethyl]-2-methylpentyl] 4-benzoylbenzoate
CID 155301055
[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate
CID 12708925

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
The IUPAC name of [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate (CID 4064) is [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate.
What is the SMILES notation for [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
The canonical SMILES for [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate is CCCC(C)(COC(N)=O)COC(N)=O.
What is the InChIKey of [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
The InChIKey is NPPQSCRMBWNHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13).
What are the key properties of [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate has a molecular weight of 218.25 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate is sourced from PubChem (CID 4064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).