benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate

C15H23NO2 — CID 130159197

IUPACbenzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
SMILESCC(N(C)C(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-12(15(2,3)4)16(5)14(17)18-11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyWJCFMGBCTOBDSD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.69
Rot. Bonds3

About benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate

benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate (PubChem CID 130159197) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
PubChem CID130159197
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebenzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
SMILESCC(N(C)C(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-12(15(2,3)4)16(5)14(17)18-11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyWJCFMGBCTOBDSD-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
benzyl N,N-dimethylcarbamate
CID 12963450
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
benzyl N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)-N-methylcarbamate
CID 2758653
(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 91613771
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 11689460

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate?
The IUPAC name of benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate (CID 130159197) is benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate is CC(N(C)C(=O)OCc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate?
The InChIKey is WJCFMGBCTOBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(15(2,3)4)16(5)14(17)18-11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3.
What are the key properties of benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate?
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate has a molecular weight of 249.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate is sourced from PubChem (CID 130159197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).