benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate

C14H21NO2 — CID 110669345

IUPACbenzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
SMILESCN(CC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-15(4)13(16)17-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyOPINPWHGRFEVRE-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds3

About benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate

benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate (PubChem CID 110669345) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
PubChem CID110669345
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namebenzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
SMILESCN(CC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-15(4)13(16)17-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyOPINPWHGRFEVRE-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethyl-6-oxohexyl)-N-methylcarbamate
CID 171078650
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
[methyl(phenylmethoxycarbonyl)amino]methyl benzoate
CID 143845150
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate?
The IUPAC name of benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate (CID 110669345) is benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate is CN(CC(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate?
The InChIKey is OPINPWHGRFEVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)11-15(4)13(16)17-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate?
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate is sourced from PubChem (CID 110669345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).