[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C16H26N3O3+ — CID 9049187

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-5-22-14-8-6-13(7-9-14)18-16(21)11-19(4)10-15(20)17-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20)(H,18,21)/p+1
InChIKeyQDKHXEFEWYPCAN-UHFFFAOYSA-O
MW308.40 g/mol
LogP0.06
Rot. Bonds8

About [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049187) has the molecular formula C16H26N3O3+ and a molecular weight of 308.40 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049187
Molecular FormulaC16H26N3O3+
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-5-22-14-8-6-13(7-9-14)18-16(21)11-19(4)10-15(20)17-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20)(H,18,21)/p+1
InChIKeyQDKHXEFEWYPCAN-UHFFFAOYSA-O
XLogP0.06
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049865
[(5R)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419695
[(5S)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419701
methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049397
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049982
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8817954
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8817948
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049187) is [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is QDKHXEFEWYPCAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O3/c1-5-22-14-8-6-13(7-9-14)18-16(21)11-19(4)10-15(20)17-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 308.40 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).