[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium

C18H24N3O3+ — CID 9287855

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2ccco2)c1C
InChIInChI=1S/C18H23N3O3/c1-13-6-4-8-16(14(13)2)20-18(23)12-21(3)11-17(22)19-10-15-7-5-9-24-15/h4-9H,10-12H2,1-3H3,(H,19,22)(H,20,23)/p+1
InChIKeyKOLJTRVSEQECKN-UHFFFAOYSA-O
MW330.41 g/mol
LogP0.67
Rot. Bonds7

About [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium (PubChem CID 9287855) has the molecular formula C18H24N3O3+ and a molecular weight of 330.41 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
PubChem CID9287855
Molecular FormulaC18H24N3O3+
Molecular Weight330.41 g/mol
Exact Mass330.18
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2ccco2)c1C
InChIInChI=1S/C18H23N3O3/c1-13-6-4-8-16(14(13)2)20-18(23)12-21(3)11-17(22)19-10-15-7-5-9-24-15/h4-9H,10-12H2,1-3H3,(H,19,22)(H,20,23)/p+1
InChIKeyKOLJTRVSEQECKN-UHFFFAOYSA-O
XLogP0.67
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9435126
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834540
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9288108
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287839
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9288101
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9287642

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium (CID 9287855) is [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium is Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2ccco2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is KOLJTRVSEQECKN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O3/c1-13-6-4-8-16(14(13)2)20-18(23)12-21(3)11-17(22)19-10-15-7-5-9-24-15/h4-9H,10-12H2,1-3H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 330.41 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).