benzyl N-ethyl-N-propylcarbamate

C13H19NO2 — CID 126656974

IUPACbenzyl N-ethyl-N-propylcarbamate
SMILESCCCN(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-10-14(4-2)13(15)16-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNTWYPAJJHMFCFB-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.06
Rot. Bonds5

About benzyl N-ethyl-N-propylcarbamate

benzyl N-ethyl-N-propylcarbamate (PubChem CID 126656974) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is benzyl N-ethyl-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-propylcarbamate
PubChem CID126656974
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebenzyl N-ethyl-N-propylcarbamate
SMILESCCCN(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-10-14(4-2)13(15)16-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNTWYPAJJHMFCFB-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
CID 138644331
benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate
CID 143447868

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-propylcarbamate?
The IUPAC name of benzyl N-ethyl-N-propylcarbamate (CID 126656974) is benzyl N-ethyl-N-propylcarbamate.
What is the SMILES notation for benzyl N-ethyl-N-propylcarbamate?
The canonical SMILES for benzyl N-ethyl-N-propylcarbamate is CCCN(CC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethyl-N-propylcarbamate?
The InChIKey is NTWYPAJJHMFCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-10-14(4-2)13(15)16-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of benzyl N-ethyl-N-propylcarbamate?
benzyl N-ethyl-N-propylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-propylcarbamate is sourced from PubChem (CID 126656974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).