(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate

C13H18ClNO2 — CID 102226653

IUPAC(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)9-6-7-11(10(14)8-9)17-12(16)15(4)5/h6-8H,1-5H3
InChIKeyOCDBCWPXVZTFDL-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.70
Rot. Bonds1

About (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate

(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate (PubChem CID 102226653) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate
PubChem CID102226653
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)9-6-7-11(10(14)8-9)17-12(16)15(4)5/h6-8H,1-5H3
InChIKeyOCDBCWPXVZTFDL-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium
CID 3593090
[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride
CID 44659026
4-tert-butyl-2-chloro-N,N-dimethylbenzamide
CID 69030370
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
(2R)-2-(3-chloro-4-methoxyphenyl)-2-(dimethylamino)propanoic acid
CID 97034755
[2-chloro-4-(trifluoromethyl)phenyl] 3,3-dimethylbutanoate
CID 90868666
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
methyl 4-chloro-3-(dimethylcarbamoyloxy)benzoate
CID 102226652
propan-2-yl (2S)-2-amino-3-[3-chloro-4-(dimethylcarbamoyloxy)phenyl]propanoate
CID 141006180
(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
CID 62706612
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide
CID 49379512
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate?
The IUPAC name of (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate (CID 102226653) is (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate?
The canonical SMILES for (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate?
The InChIKey is OCDBCWPXVZTFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,3)9-6-7-11(10(14)8-9)17-12(16)15(4)5/h6-8H,1-5H3.
What are the key properties of (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate?
(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate has a molecular weight of 255.75 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 102226653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).