[2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium

C16H27N3O2+2 — CID 2119404

IUPAC[2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCCc1ccc(NC(=O)C[NH2+]CC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-14-3-5-15(6-4-14)18-16(20)13-17-7-8-19-9-11-21-12-10-19/h3-6,17H,2,7-13H2,1H3,(H,18,20)/p+2
InChIKeyGNIZTKFMMWLZHZ-UHFFFAOYSA-P
MW293.41 g/mol
LogP-1.33
Rot. Bonds7

About [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium

[2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 2119404) has the molecular formula C16H27N3O2+2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID2119404
Molecular FormulaC16H27N3O2+2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCCc1ccc(NC(=O)C[NH2+]CC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-14-3-5-15(6-4-14)18-16(20)13-17-7-8-19-9-11-21-12-10-19/h3-6,17H,2,7-13H2,1H3,(H,18,20)/p+2
InChIKeyGNIZTKFMMWLZHZ-UHFFFAOYSA-P
XLogP-1.33
TPSA59.38 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-(4-ethylanilino)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxobutanoate
CID 7421952
1-(4-ethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea
CID 8618793
[(R)-(4-methylphenyl)-phenylmethyl]-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8641390
ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402
N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 3421987
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8793434
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium (CID 2119404) is [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium is CCc1ccc(NC(=O)C[NH2+]CC[NH+]2CCOCC2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is GNIZTKFMMWLZHZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H25N3O2/c1-2-14-3-5-15(6-4-14)18-16(20)13-17-7-8-19-9-11-21-12-10-19/h3-6,17H,2,7-13H2,1H3,(H,18,20)/p+2.
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium?
[2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 293.41 g/mol, XLogP of -1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 2119404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).