[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

C23H29N4O3+ — CID 9287692

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)c1C
InChIInChI=1S/C23H28N4O3/c1-15-7-6-10-19(16(15)2)25-21(28)13-27(3)14-22(29)26-20-9-5-4-8-18(20)23(30)24-17-11-12-17/h4-10,17H,11-14H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)/p+1
InChIKeyRBUPFFRIQVXSJR-UHFFFAOYSA-O
MW409.51 g/mol
LogP1.29
Rot. Bonds8

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9287692) has the molecular formula C23H29N4O3+ and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9287692
Molecular FormulaC23H29N4O3+
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)c1C
InChIInChI=1S/C23H28N4O3/c1-15-7-6-10-19(16(15)2)25-21(28)13-27(3)14-22(29)26-20-9-5-4-8-18(20)23(30)24-17-11-12-17/h4-10,17H,11-14H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)/p+1
InChIKeyRBUPFFRIQVXSJR-UHFFFAOYSA-O
XLogP1.29
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302760
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251816
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222721
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221515
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11938623
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 11929434
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287839

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (CID 9287692) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)c1C.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is RBUPFFRIQVXSJR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N4O3/c1-15-7-6-10-19(16(15)2)25-21(28)13-27(3)14-22(29)26-20-9-5-4-8-18(20)23(30)24-17-11-12-17/h4-10,17H,11-14H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)/p+1.
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 409.51 g/mol, XLogP of 1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9287692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).