[2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate

C14H28N2O4 — CID 130387395

IUPAC[2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate
SMILESCNC(=O)OC(C)(C)CCCCOC(C)(C)C(=O)NC
InChIInChI=1S/C14H28N2O4/c1-13(2,20-12(18)16-6)9-7-8-10-19-14(3,4)11(17)15-5/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyIHBRCPWONSKZGZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.83
Rot. Bonds8

About [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate

[2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate (PubChem CID 130387395) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate
PubChem CID130387395
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate
SMILESCNC(=O)OC(C)(C)CCCCOC(C)(C)C(=O)NC
InChIInChI=1S/C14H28N2O4/c1-13(2,20-12(18)16-6)9-7-8-10-19-14(3,4)11(17)15-5/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyIHBRCPWONSKZGZ-UHFFFAOYSA-N
XLogP1.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2,2-trimethyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexanamide
CID 154967982
N,2-dimethyl-2-prop-2-enoxypropanamide
CID 130010930
2-(5,5-dimethylhexoxy)-2,4,4-trimethylpentan-3-one
CID 159964177
6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
CID 114900096
tert-butyl N-methylcarbamate;ethane
CID 142957488
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
[6-[4-(4-benzoylphenyl)sulfanyl-2-methyl-3-oxobutan-2-yl]oxy-2-methylhexan-2-yl] 2-(4-benzoylphenyl)sulfanylacetate
CID 123421093
4,4-dimethylpentyl N-methylcarbamate;ethane
CID 159375955
2-methylhexan-2-yl N-aminocarbamate
CID 163750703
2-(2-methylheptan-2-yloxycarbonylamino)ethylphosphonic acid
CID 58871412
[7-(5-hydroxy-5-methylhexoxy)-2,7-dimethyloctan-2-yl] 7-(6-hydroxyhexanoyloxy)-7-methyloctanoate
CID 154973162
(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate
CID 166750043

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate?
The IUPAC name of [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate (CID 130387395) is [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate.
What is the SMILES notation for [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate?
The canonical SMILES for [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate is CNC(=O)OC(C)(C)CCCCOC(C)(C)C(=O)NC.
What is the InChIKey of [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate?
The InChIKey is IHBRCPWONSKZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-13(2,20-12(18)16-6)9-7-8-10-19-14(3,4)11(17)15-5/h7-10H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate?
[2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate has a molecular weight of 288.39 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexan-2-yl] N-methylcarbamate is sourced from PubChem (CID 130387395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).