tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate

C14H20ClNO2 — CID 58892825

IUPACtert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate
SMILESCCc1cc(C)cc(Cl)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO2/c1-6-10-7-9(2)8-11(15)12(10)16-13(17)18-14(3,4)5/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyUDWFGIPSSINFRL-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.56
Rot. Bonds2

About tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate

tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate (PubChem CID 58892825) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate
PubChem CID58892825
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nametert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate
SMILESCCc1cc(C)cc(Cl)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO2/c1-6-10-7-9(2)8-11(15)12(10)16-13(17)18-14(3,4)5/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyUDWFGIPSSINFRL-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
3,5-dichloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 7022994
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate
CID 145402892
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
propyl N-(2-chloro-4,6-dimethylphenyl)carbamate
CID 19174388
tert-butyl N-[3-(2,6-diethyl-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832631
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate (CID 58892825) is tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate is CCc1cc(C)cc(Cl)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate?
The InChIKey is UDWFGIPSSINFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-6-10-7-9(2)8-11(15)12(10)16-13(17)18-14(3,4)5/h7-8H,6H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate?
tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate has a molecular weight of 269.77 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate is sourced from PubChem (CID 58892825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).