[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C17H28N3O3+ — CID 8907070

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCOc1ccccc1NC(=O)C[NH+](CC)CC(=O)NC(C)C
InChIInChI=1S/C17H27N3O3/c1-5-20(11-16(21)18-13(3)4)12-17(22)19-14-9-7-8-10-15(14)23-6-2/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22)/p+1
InChIKeyGBDZBIVYFHAOPK-UHFFFAOYSA-O
MW322.43 g/mol
LogP0.45
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8907070) has the molecular formula C17H28N3O3+ and a molecular weight of 322.43 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8907070
Molecular FormulaC17H28N3O3+
Molecular Weight322.43 g/mol
Exact Mass322.21
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCOc1ccccc1NC(=O)C[NH+](CC)CC(=O)NC(C)C
InChIInChI=1S/C17H27N3O3/c1-5-20(11-16(21)18-13(3)4)12-17(22)19-14-9-7-8-10-15(14)23-6-2/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22)/p+1
InChIKeyGBDZBIVYFHAOPK-UHFFFAOYSA-O
XLogP0.45
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906695
N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112998813
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029857
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029341
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 7594329
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8907070) is [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CCOc1ccccc1NC(=O)C[NH+](CC)CC(=O)NC(C)C.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is GBDZBIVYFHAOPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27N3O3/c1-5-20(11-16(21)18-13(3)4)12-17(22)19-14-9-7-8-10-15(14)23-6-2/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22)/p+1.
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 322.43 g/mol, XLogP of 0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8907070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).