methyl N-(1-methoxypropyl)-N-propylcarbamate

C9H19NO3 — CID 139914074

IUPACmethyl N-(1-methoxypropyl)-N-propylcarbamate
SMILESCCCN(C(=O)OC)C(CC)OC
InChIInChI=1S/C9H19NO3/c1-5-7-10(9(11)13-4)8(6-2)12-3/h8H,5-7H2,1-4H3
InChIKeySTJASOBCFMERGW-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.85
Rot. Bonds5

About methyl N-(1-methoxypropyl)-N-propylcarbamate

methyl N-(1-methoxypropyl)-N-propylcarbamate (PubChem CID 139914074) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl N-(1-methoxypropyl)-N-propylcarbamate.

Molecular Properties

Compound Namemethyl N-(1-methoxypropyl)-N-propylcarbamate
PubChem CID139914074
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl N-(1-methoxypropyl)-N-propylcarbamate
SMILESCCCN(C(=O)OC)C(CC)OC
InChIInChI=1S/C9H19NO3/c1-5-7-10(9(11)13-4)8(6-2)12-3/h8H,5-7H2,1-4H3
InChIKeySTJASOBCFMERGW-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methoxypropyl)-N-propylcarbamate?
The IUPAC name of methyl N-(1-methoxypropyl)-N-propylcarbamate (CID 139914074) is methyl N-(1-methoxypropyl)-N-propylcarbamate.
What is the SMILES notation for methyl N-(1-methoxypropyl)-N-propylcarbamate?
The canonical SMILES for methyl N-(1-methoxypropyl)-N-propylcarbamate is CCCN(C(=O)OC)C(CC)OC.
What is the InChIKey of methyl N-(1-methoxypropyl)-N-propylcarbamate?
The InChIKey is STJASOBCFMERGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-7-10(9(11)13-4)8(6-2)12-3/h8H,5-7H2,1-4H3.
What are the key properties of methyl N-(1-methoxypropyl)-N-propylcarbamate?
methyl N-(1-methoxypropyl)-N-propylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methoxypropyl)-N-propylcarbamate is sourced from PubChem (CID 139914074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).