propan-2-yl N-methyl-N-octylcarbamate

C13H27NO2 — CID 166755395

IUPACpropan-2-yl N-methyl-N-octylcarbamate
SMILESCCCCCCCCN(C)C(=O)OC(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-14(4)13(15)16-12(2)3/h12H,5-11H2,1-4H3
InChIKeyMHSZTQBQFYRMFE-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.82
Rot. Bonds8

About propan-2-yl N-methyl-N-octylcarbamate

propan-2-yl N-methyl-N-octylcarbamate (PubChem CID 166755395) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-octylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-octylcarbamate
PubChem CID166755395
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namepropan-2-yl N-methyl-N-octylcarbamate
SMILESCCCCCCCCN(C)C(=O)OC(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-14(4)13(15)16-12(2)3/h12H,5-11H2,1-4H3
InChIKeyMHSZTQBQFYRMFE-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
methyl N-hexyl-N-methylcarbamate
CID 14923771
ethyl N-methyl-N-octylcarbamate
CID 15790108
[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104
undecyl N-methyl-N-pentylcarbamate
CID 54297307
propan-2-yl N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]carbamate
CID 59502369
S-[3-[methyl(propan-2-yloxycarbonyl)amino]propyl] ethanethioate
CID 88875816
propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate
CID 142707174
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
propan-2-yl dodecanoate;titanium(2+)
CID 18314327

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-octylcarbamate?
The IUPAC name of propan-2-yl N-methyl-N-octylcarbamate (CID 166755395) is propan-2-yl N-methyl-N-octylcarbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-octylcarbamate?
The canonical SMILES for propan-2-yl N-methyl-N-octylcarbamate is CCCCCCCCN(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-methyl-N-octylcarbamate?
The InChIKey is MHSZTQBQFYRMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-14(4)13(15)16-12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of propan-2-yl N-methyl-N-octylcarbamate?
propan-2-yl N-methyl-N-octylcarbamate has a molecular weight of 229.36 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-octylcarbamate is sourced from PubChem (CID 166755395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).