tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate

C13H18ClNO3 — CID 69097022

IUPACtert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
SMILESCOc1cc(C)c(NC(=O)OC(C)(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-8-6-11(17-5)9(14)7-10(8)15-12(16)18-13(2,3)4/h6-7H,1-5H3,(H,15,16)
InChIKeyUZRBATPWFPQMOD-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate

tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate (PubChem CID 69097022) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
PubChem CID69097022
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Nametert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
SMILESCOc1cc(C)c(NC(=O)OC(C)(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-8-6-11(17-5)9(14)7-10(8)15-12(16)18-13(2,3)4/h6-7H,1-5H3,(H,15,16)
InChIKeyUZRBATPWFPQMOD-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-chloro-2-formyl-4-methoxyphenyl)carbamate
CID 84813438
2-(5-chloro-4-methoxy-2-methylanilino)-2-oxoacetic acid
CID 82497514
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
N-(5-chloro-4-methoxy-2-methylphenyl)-2-hydroxypropanamide
CID 115140378
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
tert-butyl N-[3-(5-chloro-2,4-dimethoxyanilino)propyl]carbamate
CID 103821609
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 115189599
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate (CID 69097022) is tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate is COc1cc(C)c(NC(=O)OC(C)(C)C)cc1Cl.
What is the InChIKey of tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate?
The InChIKey is UZRBATPWFPQMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8-6-11(17-5)9(14)7-10(8)15-12(16)18-13(2,3)4/h6-7H,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate?
tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate has a molecular weight of 271.74 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate is sourced from PubChem (CID 69097022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).