[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium

C17H25N2O5+ — CID 145120985

IUPAC[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium
SMILESCC(C)(C)OC(=O)COc1ccc([NH+]=O)c(NC[C@@H]2CCCO2)c1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(20)11-23-12-6-7-14(19-21)15(9-12)18-10-13-5-4-8-22-13/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3/p+1/t13-/m0/s1
InChIKeyBJMZFROZHYJMIR-ZDUSSCGKSA-O
MW337.40 g/mol
LogP1.48
Rot. Bonds7

About [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium

[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium (PubChem CID 145120985) has the molecular formula C17H25N2O5+ and a molecular weight of 337.40 g/mol. Its IUPAC name is [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium.

Molecular Properties

Compound Name[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium
PubChem CID145120985
Molecular FormulaC17H25N2O5+
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium
SMILESCC(C)(C)OC(=O)COc1ccc([NH+]=O)c(NC[C@@H]2CCCO2)c1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(20)11-23-12-6-7-14(19-21)15(9-12)18-10-13-5-4-8-22-13/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3/p+1/t13-/m0/s1
InChIKeyBJMZFROZHYJMIR-ZDUSSCGKSA-O
XLogP1.48
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium 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

2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404420
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
tert-butyl 2-[3-amino-4-(methylamino)phenoxy]acetate
CID 171627438
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155090490
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 78954558
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium?
The IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium (CID 145120985) is [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium.
What is the SMILES notation for [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium?
The canonical SMILES for [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium is CC(C)(C)OC(=O)COc1ccc([NH+]=O)c(NC[C@@H]2CCCO2)c1.
What is the InChIKey of [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium?
The InChIKey is BJMZFROZHYJMIR-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,3)24-16(20)11-23-12-6-7-14(19-21)15(9-12)18-10-13-5-4-8-22-13/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3/p+1/t13-/m0/s1.
What are the key properties of [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium?
[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium has a molecular weight of 337.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-oxolan-2-yl]methylamino]phenyl]-oxoazanium is sourced from PubChem (CID 145120985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).