tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate

C14H21NO3 — CID 69096726

IUPACtert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
SMILESCCOc1ccc(C)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-6-17-11-8-7-10(2)12(9-11)15-13(16)18-14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyUGMDDAGOKJCJMW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate

tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate (PubChem CID 69096726) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
PubChem CID69096726
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
SMILESCCOc1ccc(C)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-6-17-11-8-7-10(2)12(9-11)15-13(16)18-14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyUGMDDAGOKJCJMW-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(5-ethoxy-2-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-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide
CID 23369793
tert-butyl N-[5-(isocyanatomethyl)-2-methylphenyl]carbamate
CID 117114762
ethyl 3-(2,5-dimethylanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
CID 86801205
[5-(6-hydroxyhexoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamic acid
CID 122585555
ethyl (2S)-3-(2,5-dimethylanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
CID 99787386
tert-butyl N-[2-amino-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 69487918

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate (CID 69096726) is tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate is CCOc1ccc(C)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate?
The InChIKey is UGMDDAGOKJCJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-17-11-8-7-10(2)12(9-11)15-13(16)18-14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate?
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate is sourced from PubChem (CID 69096726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).