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

C17H28N3O2+ — CID 8906695

IUPACethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCc1ccccc1NC(=O)C[NH+](CC)CC(=O)NC(C)C
InChIInChI=1S/C17H27N3O2/c1-5-14-9-7-8-10-15(14)19-17(22)12-20(6-2)11-16(21)18-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22)/p+1
InChIKeyIVRUGTROWDIOAB-UHFFFAOYSA-O
MW306.43 g/mol
LogP0.62
Rot. Bonds8

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

ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8906695) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8906695
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Nameethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCc1ccccc1NC(=O)C[NH+](CC)CC(=O)NC(C)C
InChIInChI=1S/C17H27N3O2/c1-5-14-9-7-8-10-15(14)19-17(22)12-20(6-2)11-16(21)18-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22)/p+1
InChIKeyIVRUGTROWDIOAB-UHFFFAOYSA-O
XLogP0.62
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Related Compounds

ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907288
[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907070
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
ethyl-[(2-nitrophenyl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792715
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9433348
[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907135
ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792952
ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906830
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029341
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8906695) is ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CCc1ccccc1NC(=O)C[NH+](CC)CC(=O)NC(C)C.
What is the InChIKey of ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is IVRUGTROWDIOAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-5-14-9-7-8-10-15(14)19-17(22)12-20(6-2)11-16(21)18-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22)/p+1.
What are the key properties of ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 306.43 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8906695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).