[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

C19H30N3O3+ — CID 8816667

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-21(14-19(24)22(2)16-7-5-4-6-8-16)13-18(23)20-15-9-11-17(25-3)12-10-15/h9-12,16H,4-8,13-14H2,1-3H3,(H,20,23)/p+1
InChIKeyMVGMMBMWBANHEQ-UHFFFAOYSA-O
MW348.47 g/mol
LogP0.94
Rot. Bonds7

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 8816667) has the molecular formula C19H30N3O3+ and a molecular weight of 348.47 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID8816667
Molecular FormulaC19H30N3O3+
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-21(14-19(24)22(2)16-7-5-4-6-8-16)13-18(23)20-15-9-11-17(25-3)12-10-15/h9-12,16H,4-8,13-14H2,1-3H3,(H,20,23)/p+1
InChIKeyMVGMMBMWBANHEQ-UHFFFAOYSA-O
XLogP0.94
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222568
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8755007
1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea
CID 7939510
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8692370
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
CID 54837999
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (CID 8816667) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(NC(=O)C[NH+](C)CC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is MVGMMBMWBANHEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O3/c1-21(14-19(24)22(2)16-7-5-4-6-8-16)13-18(23)20-15-9-11-17(25-3)12-10-15/h9-12,16H,4-8,13-14H2,1-3H3,(H,20,23)/p+1.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 348.47 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8816667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).