acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate

C14H28N2O6 — CID 134348106

IUPACacetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
SMILESCC(=O)O.CCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4.C2H4O2/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3;1-2(3)4/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16);1H3,(H,3,4)
InChIKeyFIRWEBFYXLUEKP-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.11
Rot. Bonds7

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

acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate (PubChem CID 134348106) has the molecular formula C14H28N2O6 and a molecular weight of 320.39 g/mol. Its IUPAC name is acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameacetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
PubChem CID134348106
Molecular FormulaC14H28N2O6
Molecular Weight320.39 g/mol
Exact Mass320.19
IUPAC Nameacetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
SMILESCC(=O)O.CCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4.C2H4O2/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3;1-2(3)4/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16);1H3,(H,3,4)
InChIKeyFIRWEBFYXLUEKP-UHFFFAOYSA-N
XLogP2.11
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
CID 45110489
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
[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
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
(2-methyl-2-propylpentyl) acetate
CID 89417633
[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl] N-butylcarbamate
CID 21128467
[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate
CID 131667708
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate
CID 21128470

Frequently Asked Questions

What is the IUPAC name of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
The IUPAC name of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate (CID 134348106) is acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
The canonical SMILES for acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate is CC(=O)O.CCCC(C)(COC(N)=O)COC(=O)NC(C)C.
What is the InChIKey of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
The InChIKey is FIRWEBFYXLUEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4.C2H4O2/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3;1-2(3)4/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16);1H3,(H,3,4).
What are the key properties of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate?
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate has a molecular weight of 320.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 134348106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).