[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

C23H26N3O2+ — CID 9222015

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-16-8-6-9-17(2)23(16)25-22(28)15-26(3)14-21(27)24-20-13-7-11-18-10-4-5-12-19(18)20/h4-13H,14-15H2,1-3H3,(H,24,27)(H,25,28)/p+1
InChIKeyRKBXLKBULZKZDH-UHFFFAOYSA-O
MW376.48 g/mol
LogP2.55
Rot. Bonds6

About [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (PubChem CID 9222015) has the molecular formula C23H26N3O2+ and a molecular weight of 376.48 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
PubChem CID9222015
Molecular FormulaC23H26N3O2+
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-16-8-6-9-17(2)23(16)25-22(28)15-26(3)14-21(27)24-20-13-7-11-18-10-4-5-12-19(18)20/h4-13H,14-15H2,1-3H3,(H,24,27)(H,25,28)/p+1
InChIKeyRKBXLKBULZKZDH-UHFFFAOYSA-O
XLogP2.55
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9222103
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9222089
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
CID 9466761
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9221931
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium
CID 8006194
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2548867
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8756671
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (CID 9222015) is [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The InChIKey is RKBXLKBULZKZDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-6-9-17(2)23(16)25-22(28)15-26(3)14-21(27)24-20-13-7-11-18-10-4-5-12-19(18)20/h4-13H,14-15H2,1-3H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium has a molecular weight of 376.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9222015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).