methyl N,N-dipropylcarbamate

C8H17NO2 — CID 19041830

IUPACmethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-6-9(7-5-2)8(10)11-3/h4-7H2,1-3H3
InChIKeyQAKVHIKUNMGUOL-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds4

About methyl N,N-dipropylcarbamate

methyl N,N-dipropylcarbamate (PubChem CID 19041830) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl N,N-dipropylcarbamate.

Molecular Properties

Compound Namemethyl N,N-dipropylcarbamate
PubChem CID19041830
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-6-9(7-5-2)8(10)11-3/h4-7H2,1-3H3
InChIKeyQAKVHIKUNMGUOL-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-dipropylcarbamate?
The IUPAC name of methyl N,N-dipropylcarbamate (CID 19041830) is methyl N,N-dipropylcarbamate.
What is the SMILES notation for methyl N,N-dipropylcarbamate?
The canonical SMILES for methyl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OC.
What is the InChIKey of methyl N,N-dipropylcarbamate?
The InChIKey is QAKVHIKUNMGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6-9(7-5-2)8(10)11-3/h4-7H2,1-3H3.
What are the key properties of methyl N,N-dipropylcarbamate?
methyl N,N-dipropylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-dipropylcarbamate is sourced from PubChem (CID 19041830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).