(Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium

C24H32N4O6 — CID 118195895

IUPAC(Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium
SMILESCCN(CC)/[N+]([O-])=N/OOC(=O)C(C)(C)Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H32N4O6/c1-7-27(8-2)28(31)26-34-33-23(30)24(5,6)32-21-11-9-19(10-12-21)16-22(29)25-20-14-17(3)13-18(4)15-20/h9-15H,7-8,16H2,1-6H3,(H,25,29)/b28-26-
InChIKeyNBLMMQVQOJYRHA-SGEDCAFJSA-N
MW472.54 g/mol
LogP4.25
Rot. Bonds11

About (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium

(Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium (PubChem CID 118195895) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium
PubChem CID118195895
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Name(Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium
SMILESCCN(CC)/[N+]([O-])=N/OOC(=O)C(C)(C)Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H32N4O6/c1-7-27(8-2)28(31)26-34-33-23(30)24(5,6)32-21-11-9-19(10-12-21)16-22(29)25-20-14-17(3)13-18(4)15-20/h9-15H,7-8,16H2,1-6H3,(H,25,29)/b28-26-
InChIKeyNBLMMQVQOJYRHA-SGEDCAFJSA-N
XLogP4.25
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium with MolForge

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Related Compounds

CID 6331796
CID 6331796
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
2-[[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]amino]pentanedioic acid
CID 22482942
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
2-[4-[2-(3,5-dimethylanilino)ethyl]phenoxy]-2-methylpropanoic acid
CID 67811284
4-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]oxane-4-carboxylic acid
CID 10619981
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
CID 17245093
2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid
CID 20783005
2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
CID 175488495

Frequently Asked Questions

What is the IUPAC name of (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium?
The IUPAC name of (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium (CID 118195895) is (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium.
What is the SMILES notation for (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium?
The canonical SMILES for (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium is CCN(CC)/[N+]([O-])=N/OOC(=O)C(C)(C)Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium?
The InChIKey is NBLMMQVQOJYRHA-SGEDCAFJSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-7-27(8-2)28(31)26-34-33-23(30)24(5,6)32-21-11-9-19(10-12-21)16-22(29)25-20-14-17(3)13-18(4)15-20/h9-15H,7-8,16H2,1-6H3,(H,25,29)/b28-26-.
What are the key properties of (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium?
(Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium has a molecular weight of 472.54 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium is sourced from PubChem (CID 118195895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).