benzyl N-(2,2-dimethylpropyl)carbamate

C13H19NO2 — CID 10846637

IUPACbenzyl N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-14-12(15)16-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyQLOLDGLAPMBGLO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.96
Rot. Bonds3

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

benzyl N-(2,2-dimethylpropyl)carbamate (PubChem CID 10846637) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is benzyl N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,2-dimethylpropyl)carbamate
PubChem CID10846637
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebenzyl N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-14-12(15)16-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyQLOLDGLAPMBGLO-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(3,3,3-trifluoro-2-formyl-2-methylpropyl)carbamate
CID 10913233
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
benzyl N-(5,5-dimethyl-2-oxohexyl)carbamate
CID 165468544
benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
CID 153440550
benzyl N-(4-bromo-2-ethyl-2-methyl-3-oxobutyl)carbamate
CID 104701872
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of benzyl N-(2,2-dimethylpropyl)carbamate (CID 10846637) is benzyl N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for benzyl N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for benzyl N-(2,2-dimethylpropyl)carbamate is CC(C)(C)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,2-dimethylpropyl)carbamate?
The InChIKey is QLOLDGLAPMBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)10-14-12(15)16-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15).
What are the key properties of benzyl N-(2,2-dimethylpropyl)carbamate?
benzyl N-(2,2-dimethylpropyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 10846637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).