[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

C22H32N3O2+ — CID 8710063

IUPAC[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N(C2=CCCCC2)C2CC2)c1C
InChIInChI=1S/C22H31N3O2/c1-16-8-7-11-20(17(16)2)23-21(26)14-24(3)15-22(27)25(19-12-13-19)18-9-5-4-6-10-18/h7-9,11,19H,4-6,10,12-15H2,1-3H3,(H,23,26)/p+1
InChIKeyDWCYOLKIIFAHHU-UHFFFAOYSA-O
MW370.52 g/mol
LogP2.21
Rot. Bonds7

About [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8710063) has the molecular formula C22H32N3O2+ and a molecular weight of 370.52 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID8710063
Molecular FormulaC22H32N3O2+
Molecular Weight370.52 g/mol
Exact Mass370.25
IUPAC Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N(C2=CCCCC2)C2CC2)c1C
InChIInChI=1S/C22H31N3O2/c1-16-8-7-11-20(17(16)2)23-21(26)14-24(3)15-22(27)25(19-12-13-19)18-9-5-4-6-10-18/h7-9,11,19H,4-6,10,12-15H2,1-3H3,(H,23,26)/p+1
InChIKeyDWCYOLKIIFAHHU-UHFFFAOYSA-O
XLogP2.21
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8553578
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]azanium
CID 9348330
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11938623
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
CID 8553459
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 11929434
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 8558963
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221937
[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

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium (CID 8710063) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1cccc(NC(=O)C[NH+](C)CC(=O)N(C2=CCCCC2)C2CC2)c1C.
What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is DWCYOLKIIFAHHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N3O2/c1-16-8-7-11-20(17(16)2)23-21(26)14-24(3)15-22(27)25(19-12-13-19)18-9-5-4-6-10-18/h7-9,11,19H,4-6,10,12-15H2,1-3H3,(H,23,26)/p+1.
What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium?
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 370.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8710063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).