tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate

C21H33NO5 — CID 118426508

IUPACtert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate
SMILESCC(=O)c1ccc(OCCOCCC(C)(C)N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H33NO5/c1-16(23)17-8-10-18(11-9-17)26-15-14-25-13-12-21(5,6)22(7)19(24)27-20(2,3)4/h8-11H,12-15H2,1-7H3
InChIKeyCFWUZEOVQMNZCI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.32
Rot. Bonds9

About tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate

tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate (PubChem CID 118426508) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate
PubChem CID118426508
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Nametert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate
SMILESCC(=O)c1ccc(OCCOCCC(C)(C)N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H33NO5/c1-16(23)17-8-10-18(11-9-17)26-15-14-25-13-12-21(5,6)22(7)19(24)27-20(2,3)4/h8-11H,12-15H2,1-7H3
InChIKeyCFWUZEOVQMNZCI-UHFFFAOYSA-N
XLogP4.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate 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

1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
CID 161243882
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601
2-[acetyl(methyl)amino]-N,2-dimethyl-N-[(E)-1-[4-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]propanamide
CID 59256359
2-[2-[2-[4-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl methanesulfinate
CID 130215393
2-[2-[4-[2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethynyl]phenoxy]ethoxy]ethyl methanesulfonate
CID 16659293
1-[4-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 75372281
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate (CID 118426508) is tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate is CC(=O)c1ccc(OCCOCCC(C)(C)N(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate?
The InChIKey is CFWUZEOVQMNZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO5/c1-16(23)17-8-10-18(11-9-17)26-15-14-25-13-12-21(5,6)22(7)19(24)27-20(2,3)4/h8-11H,12-15H2,1-7H3.
What are the key properties of tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate?
tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate has a molecular weight of 379.50 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(4-acetylphenoxy)ethoxy]-2-methylbutan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 118426508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).