[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate

C12H24N2O4 — CID 45110489

IUPAC[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
SMILES[2H]C([2H])(OC(N)=O)C(C)(CCC)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)/i7D2
InChIKeyOFZCIYFFPZCNJE-RJSZUWSASA-N
MW262.35 g/mol
LogP2.02
Rot. Bonds7

About [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate

[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate (PubChem CID 45110489) has the molecular formula C12H24N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
PubChem CID45110489
Molecular FormulaC12H24N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
SMILES[2H]C([2H])(OC(N)=O)C(C)(CCC)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)/i7D2
InChIKeyOFZCIYFFPZCNJE-RJSZUWSASA-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 ≤ 500262.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-(2-deuteriopropan-2-yl)carbamate
CID 45110488
[2-[carbamoyloxy(dideuterio)methyl]-2-(trideuteriomethyl)pentyl] N-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)carbamate
CID 45110118
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
CID 134348106
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
carbamic acid;[2-(hydroxymethyl)-2-methylpentyl] N-propan-2-ylsulfanylcarbamate
CID 21149682
[2-(carbamoyloxymethyl)-2-(methylcarbamoyloxymethyl)-3-(propan-2-ylcarbamoyloxy)propyl] N-ethylcarbamate
CID 145215020
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate
CID 131667708
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl] N-butylcarbamate
CID 21128467
(2-methyl-2-propylpentyl) acetate
CID 89417633
iodomethyl N-propan-2-ylcarbamate
CID 86715162

Frequently Asked Questions

What is the IUPAC name of [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate?
The IUPAC name of [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate (CID 45110489) is [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate is [2H]C([2H])(OC(N)=O)C(C)(CCC)COC(=O)NC(C)C.
What is the InChIKey of [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate?
The InChIKey is OFZCIYFFPZCNJE-RJSZUWSASA-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)/i7D2.
What are the key properties of [2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate?
[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate has a molecular weight of 262.35 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-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 45110489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).