benzyl N-ethyl-N-(2-methylpropyl)carbamate

C14H21NO2 — CID 130580876

IUPACbenzyl N-ethyl-N-(2-methylpropyl)carbamate
SMILESCCN(CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15(10-12(2)3)14(16)17-11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyGRDWRAKTSSEMNY-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds5

About benzyl N-ethyl-N-(2-methylpropyl)carbamate

benzyl N-ethyl-N-(2-methylpropyl)carbamate (PubChem CID 130580876) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is benzyl N-ethyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-(2-methylpropyl)carbamate
PubChem CID130580876
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namebenzyl N-ethyl-N-(2-methylpropyl)carbamate
SMILESCCN(CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15(10-12(2)3)14(16)17-11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyGRDWRAKTSSEMNY-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethyl-N-propylcarbamate
CID 126656974
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate
CID 106484249
benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637
benzyl N-[3-(benzylamino)-2-hydroxypropyl]-N-(2-methylpropyl)carbamate;hydrochloride
CID 173088993
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-(2-methylpropyl)carbamate?
The IUPAC name of benzyl N-ethyl-N-(2-methylpropyl)carbamate (CID 130580876) is benzyl N-ethyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for benzyl N-ethyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for benzyl N-ethyl-N-(2-methylpropyl)carbamate is CCN(CC(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethyl-N-(2-methylpropyl)carbamate?
The InChIKey is GRDWRAKTSSEMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(10-12(2)3)14(16)17-11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of benzyl N-ethyl-N-(2-methylpropyl)carbamate?
benzyl N-ethyl-N-(2-methylpropyl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.30, 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-(2-methylpropyl)carbamate is sourced from PubChem (CID 130580876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).