[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate

C12H24N2O4 — CID 2576

💊View drug profile → carisoprodol
IUPAC[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
SMILESCCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKeyOFZCIYFFPZCNJE-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.02
Rot. Bonds7

About [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate

[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate (PubChem CID 2576) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
PubChem CID2576
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
SMILESCCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKeyOFZCIYFFPZCNJE-UHFFFAOYSA-N
XLogP2.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tybamate
CID 20266
Lorbamate
CID 32322
2-Hydroxymethyl-2-methylpentyl isopropylcarbamate
CID 117246
Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester
CID 15601
2-(Hydroxymethyl)-2-methylpentyl hydrogen ethylcarbonimidate
CID 213076
(S)-carisoprodol
CID 6603791
(R)-carisoprodol
CID 36688149
1,3-Propanediol, 2,2-diethyl-, carbamate isopropylcarbamate
CID 89606
1,3-Propanediol, 2-methyl-2-propyl-, dimethylcarbamate, isobutylcarbamate
CID 115628
1,3-Propanediol, 2-ethyl-2-methyl-, carbamate, ethylcarbamate
CID 117191
1,3-Propanediol, 2-ethyl-2-methyl-, carbamate, propylcarbamate
CID 117192
1,3-Propanediol, 2-ethyl-2-methyl-, carbamate, isopropylcarbamate
CID 117193

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate (CID 2576) is [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate is CCCC(C)(COC(N)=O)COC(=O)NC(C)C.
What is the InChIKey of [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
The InChIKey is OFZCIYFFPZCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16).
What are the key properties of [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate has a molecular weight of 260.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 2576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).