[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium

C16H25ClN3O2+ — CID 8692080

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O2/c1-4-20(5-2)16(22)12-19(3)11-15(21)18-10-13-6-8-14(17)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/p+1
InChIKeyVIDFZXPIXHIJGN-UHFFFAOYSA-O
MW326.85 g/mol
LogP0.34
Rot. Bonds8

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8692080) has the molecular formula C16H25ClN3O2+ and a molecular weight of 326.85 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
PubChem CID8692080
Molecular FormulaC16H25ClN3O2+
Molecular Weight326.85 g/mol
Exact Mass326.16
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O2/c1-4-20(5-2)16(22)12-19(3)11-15(21)18-10-13-6-8-14(17)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/p+1
InChIKeyVIDFZXPIXHIJGN-UHFFFAOYSA-O
XLogP0.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197762
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9167203
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2555475
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-ethylacetamide
CID 18079819
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium (CID 8692080) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium is CCN(CC)C(=O)C[NH+](C)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is VIDFZXPIXHIJGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-20(5-2)16(22)12-19(3)11-15(21)18-10-13-6-8-14(17)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/p+1.
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 326.85 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8692080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).