[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium

C22H30N3O2+ — CID 9287627

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(CN(C)C(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C22H29N3O2/c1-16-9-11-19(12-10-16)13-25(5)22(27)15-24(4)14-21(26)23-20-8-6-7-17(2)18(20)3/h6-12H,13-15H2,1-5H3,(H,23,26)/p+1
InChIKeyNDXHRFPQNDNMDJ-UHFFFAOYSA-O
MW368.50 g/mol
LogP1.72
Rot. Bonds7

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium (PubChem CID 9287627) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
PubChem CID9287627
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(CN(C)C(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C22H29N3O2/c1-16-9-11-19(12-10-16)13-25(5)22(27)15-24(4)14-21(26)23-20-8-6-7-17(2)18(20)3/h6-12H,13-15H2,1-5H3,(H,23,26)/p+1
InChIKeyNDXHRFPQNDNMDJ-UHFFFAOYSA-O
XLogP1.72
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
CID 8552998
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
CID 8553459
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8793608
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8553578
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287995
[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]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium (CID 9287627) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium is Cc1ccc(CN(C)C(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium?
The InChIKey is NDXHRFPQNDNMDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-16-9-11-19(12-10-16)13-25(5)22(27)15-24(4)14-21(26)23-20-8-6-7-17(2)18(20)3/h6-12H,13-15H2,1-5H3,(H,23,26)/p+1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium has a molecular weight of 368.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9287627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).