2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium

C13H20N3O3+ — CID 2268249

IUPAC2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
SMILESCOc1cccc(NC(=O)C(=O)NCC[NH+](C)C)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)8-7-14-12(17)13(18)15-10-5-4-6-11(9-10)19-3/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,18)/p+1
InChIKeyMITXIMIMVNRHIC-UHFFFAOYSA-O
MW266.32 g/mol
LogP-1.11
Rot. Bonds5

About 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium

2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium (PubChem CID 2268249) has the molecular formula C13H20N3O3+ and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
PubChem CID2268249
Molecular FormulaC13H20N3O3+
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
SMILESCOc1cccc(NC(=O)C(=O)NCC[NH+](C)C)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)8-7-14-12(17)13(18)15-10-5-4-6-11(9-10)19-3/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,18)/p+1
InChIKeyMITXIMIMVNRHIC-UHFFFAOYSA-O
XLogP-1.11
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 172894059
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825
3-[[2-(3-chloroanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7541412
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
CID 44999402
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium (CID 2268249) is 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium is COc1cccc(NC(=O)C(=O)NCC[NH+](C)C)c1.
What is the InChIKey of 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium?
The InChIKey is MITXIMIMVNRHIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)8-7-14-12(17)13(18)15-10-5-4-6-11(9-10)19-3/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,18)/p+1.
What are the key properties of 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium?
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium has a molecular weight of 266.32 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 2268249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).