5-(methylcarbamoyloxy)pentyl N-methylcarbamate

C9H18N2O4 — CID 59800394

IUPAC5-(methylcarbamoyloxy)pentyl N-methylcarbamate
SMILESCNC(=O)OCCCCCOC(=O)NC
InChIInChI=1S/C9H18N2O4/c1-10-8(12)14-6-4-3-5-7-15-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyJKMILMOXHYDBDA-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.87
Rot. Bonds6

About 5-(methylcarbamoyloxy)pentyl N-methylcarbamate

5-(methylcarbamoyloxy)pentyl N-methylcarbamate (PubChem CID 59800394) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-(methylcarbamoyloxy)pentyl N-methylcarbamate.

Molecular Properties

Compound Name5-(methylcarbamoyloxy)pentyl N-methylcarbamate
PubChem CID59800394
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name5-(methylcarbamoyloxy)pentyl N-methylcarbamate
SMILESCNC(=O)OCCCCCOC(=O)NC
InChIInChI=1S/C9H18N2O4/c1-10-8(12)14-6-4-3-5-7-15-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyJKMILMOXHYDBDA-UHFFFAOYSA-N
XLogP0.87
TPSA76.66 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 ≤ 50.87
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

5-hydroxypentyl N-methylcarbamate
CID 138694704
octadec-9-enyl N-methylcarbamate
CID 123820501
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
4,4-dimethylpentyl N-methylcarbamate;ethane
CID 159375955
4-sulfanylidenebutyl N-methylcarbamate
CID 22381142
ethane;propyl N-methylcarbamate
CID 142560404
3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate
CID 172550897
5-(methylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964103
8-methylnonyl N-aminocarbamate
CID 151869472
2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate
CID 20736983
2-(disulfanyl)ethyl N-methylcarbamate
CID 144923803
henicosyl N-aminocarbamate
CID 174861039

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoyloxy)pentyl N-methylcarbamate?
The IUPAC name of 5-(methylcarbamoyloxy)pentyl N-methylcarbamate (CID 59800394) is 5-(methylcarbamoyloxy)pentyl N-methylcarbamate.
What is the SMILES notation for 5-(methylcarbamoyloxy)pentyl N-methylcarbamate?
The canonical SMILES for 5-(methylcarbamoyloxy)pentyl N-methylcarbamate is CNC(=O)OCCCCCOC(=O)NC.
What is the InChIKey of 5-(methylcarbamoyloxy)pentyl N-methylcarbamate?
The InChIKey is JKMILMOXHYDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-10-8(12)14-6-4-3-5-7-15-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 5-(methylcarbamoyloxy)pentyl N-methylcarbamate?
5-(methylcarbamoyloxy)pentyl N-methylcarbamate has a molecular weight of 218.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoyloxy)pentyl N-methylcarbamate is sourced from PubChem (CID 59800394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).