[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

C20H32N3O2+ — CID 11938623

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)c1C
InChIInChI=1S/C20H31N3O2/c1-14-9-7-11-18(16(14)3)22-20(25)13-23(4)12-19(24)21-17-10-6-5-8-15(17)2/h7,9,11,15,17H,5-6,8,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/p+1/t15-,17+/m0/s1
InChIKeySHHQLIXPYSGTLM-DOTOQJQBSA-O
MW346.50 g/mol
LogP1.45
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (PubChem CID 11938623) has the molecular formula C20H32N3O2+ and a molecular weight of 346.50 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
PubChem CID11938623
Molecular FormulaC20H32N3O2+
Molecular Weight346.50 g/mol
Exact Mass346.25
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)c1C
InChIInChI=1S/C20H31N3O2/c1-14-9-7-11-18(16(14)3)22-20(25)13-23(4)12-19(24)21-17-10-6-5-8-15(17)2/h7,9,11,15,17H,5-6,8,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/p+1/t15-,17+/m0/s1
InChIKeySHHQLIXPYSGTLM-DOTOQJQBSA-O
XLogP1.45
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 8559716
[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]-methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]azanium
CID 9288048
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287692
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
CID 8552428
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9198266
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8710063
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8710007
[2-(benzhydrylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9262013
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2488552

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (CID 11938623) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is Cc1cccc(NC(=O)C[NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The InChIKey is SHHQLIXPYSGTLM-DOTOQJQBSA-O. The full InChI is InChI=1S/C20H31N3O2/c1-14-9-7-11-18(16(14)3)22-20(25)13-23(4)12-19(24)21-17-10-6-5-8-15(17)2/h7,9,11,15,17H,5-6,8,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/p+1/t15-,17+/m0/s1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium has a molecular weight of 346.50 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 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-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 11938623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).