benzyl N,N-dimethylcarbamate

C10H13NO2 — CID 12963450

IUPACbenzyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyRSQKOKVVSFQCQZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.88
Rot. Bonds2

About benzyl N,N-dimethylcarbamate

benzyl N,N-dimethylcarbamate (PubChem CID 12963450) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is benzyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namebenzyl N,N-dimethylcarbamate
PubChem CID12963450
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namebenzyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyRSQKOKVVSFQCQZ-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylcarbamoyloxymethyl)benzoic acid
CID 175337279
(4-chlorophenyl)methyl N,N-dimethylcarbamate
CID 12963457
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
CID 133060158
benzyl N-acetyl-N-aminocarbamate
CID 67604274
[methyl(phenylmethoxycarbonyl)carbamoyl] acetate
CID 166811069
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of benzyl N,N-dimethylcarbamate?
The IUPAC name of benzyl N,N-dimethylcarbamate (CID 12963450) is benzyl N,N-dimethylcarbamate.
What is the SMILES notation for benzyl N,N-dimethylcarbamate?
The canonical SMILES for benzyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N,N-dimethylcarbamate?
The InChIKey is RSQKOKVVSFQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of benzyl N,N-dimethylcarbamate?
benzyl N,N-dimethylcarbamate has a molecular weight of 179.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-dimethylcarbamate is sourced from PubChem (CID 12963450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).