benzyl N-benzyl-N-propylcarbamate

C18H21NO2 — CID 15164396

IUPACbenzyl N-benzyl-N-propylcarbamate
SMILESCCCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-13-19(14-16-9-5-3-6-10-16)18(20)21-15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyWOJNFJKMWMGFHZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.24
Rot. Bonds6

About benzyl N-benzyl-N-propylcarbamate

benzyl N-benzyl-N-propylcarbamate (PubChem CID 15164396) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is benzyl N-benzyl-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-propylcarbamate
PubChem CID15164396
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namebenzyl N-benzyl-N-propylcarbamate
SMILESCCCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-13-19(14-16-9-5-3-6-10-16)18(20)21-15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyWOJNFJKMWMGFHZ-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-propylcarbamate?
The IUPAC name of benzyl N-benzyl-N-propylcarbamate (CID 15164396) is benzyl N-benzyl-N-propylcarbamate.
What is the SMILES notation for benzyl N-benzyl-N-propylcarbamate?
The canonical SMILES for benzyl N-benzyl-N-propylcarbamate is CCCN(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-propylcarbamate?
The InChIKey is WOJNFJKMWMGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-13-19(14-16-9-5-3-6-10-16)18(20)21-15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of benzyl N-benzyl-N-propylcarbamate?
benzyl N-benzyl-N-propylcarbamate has a molecular weight of 283.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-propylcarbamate is sourced from PubChem (CID 15164396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).