benzyl N,N-dipropylcarbamate

C14H21NO2 — CID 11846245

IUPACbenzyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyNJZUPPHIKMMTTC-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.45
Rot. Bonds6

About benzyl N,N-dipropylcarbamate

benzyl N,N-dipropylcarbamate (PubChem CID 11846245) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is benzyl N,N-dipropylcarbamate.

Molecular Properties

Compound Namebenzyl N,N-dipropylcarbamate
PubChem CID11846245
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namebenzyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyNJZUPPHIKMMTTC-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N,N-dipropylcarbamate?
The IUPAC name of benzyl N,N-dipropylcarbamate (CID 11846245) is benzyl N,N-dipropylcarbamate.
What is the SMILES notation for benzyl N,N-dipropylcarbamate?
The canonical SMILES for benzyl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N,N-dipropylcarbamate?
The InChIKey is NJZUPPHIKMMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of benzyl N,N-dipropylcarbamate?
benzyl N,N-dipropylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-dipropylcarbamate is sourced from PubChem (CID 11846245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).