tert-butyl N-(3-ethoxyphenyl)carbamate

C13H19NO3 — CID 17098158

IUPACtert-butyl N-(3-ethoxyphenyl)carbamate
SMILESCCOc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H19NO3/c1-5-16-11-8-6-7-10(9-11)14-12(15)17-13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyGMEKMNSVGZLPHP-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.43
Rot. Bonds3

About tert-butyl N-(3-ethoxyphenyl)carbamate

tert-butyl N-(3-ethoxyphenyl)carbamate (PubChem CID 17098158) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(3-ethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethoxyphenyl)carbamate
PubChem CID17098158
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-(3-ethoxyphenyl)carbamate
SMILESCCOc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H19NO3/c1-5-16-11-8-6-7-10(9-11)14-12(15)17-13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyGMEKMNSVGZLPHP-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-ethoxyphenyl)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-[3-[2-(3-aminopropylamino)ethoxy]phenyl]carbamate
CID 107243446
tert-butyl N-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethoxy]phenyl]carbamate
CID 174211942
tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 156784847
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
CID 107243444
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-ethoxyphenyl)carbamate (CID 17098158) is tert-butyl N-(3-ethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethoxyphenyl)carbamate is CCOc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(3-ethoxyphenyl)carbamate?
The InChIKey is GMEKMNSVGZLPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-16-11-8-6-7-10(9-11)14-12(15)17-13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(3-ethoxyphenyl)carbamate?
tert-butyl N-(3-ethoxyphenyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethoxyphenyl)carbamate is sourced from PubChem (CID 17098158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).