[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium

C19H32N3O4+ — CID 8767414

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C19H31N3O4/c1-7-25-15-10-9-14(11-16(15)26-8-2)20-17(23)12-22(6)13-18(24)21-19(3,4)5/h9-11H,7-8,12-13H2,1-6H3,(H,20,23)(H,21,24)/p+1
InChIKeySAVMYHTUWMMQNL-UHFFFAOYSA-O
MW366.48 g/mol
LogP0.85
Rot. Bonds9

About [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 8767414) has the molecular formula C19H32N3O4+ and a molecular weight of 366.48 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID8767414
Molecular FormulaC19H32N3O4+
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C19H31N3O4/c1-7-25-15-10-9-14(11-16(15)26-8-2)20-17(23)12-22(6)13-18(24)21-19(3,4)5/h9-11H,7-8,12-13H2,1-6H3,(H,20,23)(H,21,24)/p+1
InChIKeySAVMYHTUWMMQNL-UHFFFAOYSA-O
XLogP0.85
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-(2-methylprop-2-enyl)azanium
CID 8818719
2-chloroprop-2-enyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8818865
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049865
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9223018
[2-(azocan-1-yl)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8819024
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 7991330
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]azanium
CID 8818680
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9223062
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[(3-methylphenyl)methyl]azanium
CID 8818950
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium (CID 8767414) is [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium is CCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)(C)C)cc1OCC.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is SAVMYHTUWMMQNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O4/c1-7-25-15-10-9-14(11-16(15)26-8-2)20-17(23)12-22(6)13-18(24)21-19(3,4)5/h9-11H,7-8,12-13H2,1-6H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 366.48 g/mol, XLogP of 0.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8767414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).