tert-butyl N-methoxy-N-(2-methylphenyl)carbamate

C13H19NO3 — CID 54101933

IUPACtert-butyl N-methoxy-N-(2-methylphenyl)carbamate
SMILESCON(C(=O)OC(C)(C)C)c1ccccc1C
InChIInChI=1S/C13H19NO3/c1-10-8-6-7-9-11(10)14(16-5)12(15)17-13(2,3)4/h6-9H,1-5H3
InChIKeyNBCDAXDOLUYEHK-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl N-methoxy-N-(2-methylphenyl)carbamate

tert-butyl N-methoxy-N-(2-methylphenyl)carbamate (PubChem CID 54101933) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-methoxy-N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methoxy-N-(2-methylphenyl)carbamate
PubChem CID54101933
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-methoxy-N-(2-methylphenyl)carbamate
SMILESCON(C(=O)OC(C)(C)C)c1ccccc1C
InChIInChI=1S/C13H19NO3/c1-10-8-6-7-9-11(10)14(16-5)12(15)17-13(2,3)4/h6-9H,1-5H3
InChIKeyNBCDAXDOLUYEHK-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-methoxy-N-(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

N-methoxy-N-(2-methylphenyl)acetamide
CID 14936359
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
ethyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 141060138
methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 10891056
tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate
CID 84814898
tert-butyl N,N-bis(2-bromophenyl)carbamate
CID 101464564
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
CID 134989278
tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate
CID 165178410
N-(2-iodo-3-methylphenyl)-N-methoxybenzamide
CID 170552311
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxybenzoate
CID 71006903
tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
CID 11089738

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methoxy-N-(2-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-methoxy-N-(2-methylphenyl)carbamate (CID 54101933) is tert-butyl N-methoxy-N-(2-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-methoxy-N-(2-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-methoxy-N-(2-methylphenyl)carbamate is CON(C(=O)OC(C)(C)C)c1ccccc1C.
What is the InChIKey of tert-butyl N-methoxy-N-(2-methylphenyl)carbamate?
The InChIKey is NBCDAXDOLUYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-8-6-7-9-11(10)14(16-5)12(15)17-13(2,3)4/h6-9H,1-5H3.
What are the key properties of tert-butyl N-methoxy-N-(2-methylphenyl)carbamate?
tert-butyl N-methoxy-N-(2-methylphenyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methoxy-N-(2-methylphenyl)carbamate is sourced from PubChem (CID 54101933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).