[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium

C19H30N3O3+ — CID 8555404

IUPAC[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH+](C)CC(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-7-9-15(10-8-14)20-18(23)12-22(2)13-19(24)21-16-5-4-6-17(11-16)25-3/h4-6,11,14-15H,7-10,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyWHQNOCOYCVEKEZ-UHFFFAOYSA-O
MW348.47 g/mol
LogP0.84
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium

[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium (PubChem CID 8555404) has the molecular formula C19H30N3O3+ and a molecular weight of 348.47 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
PubChem CID8555404
Molecular FormulaC19H30N3O3+
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH+](C)CC(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-7-9-15(10-8-14)20-18(23)12-22(2)13-19(24)21-16-5-4-6-17(11-16)25-3/h4-6,11,14-15H,7-10,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyWHQNOCOYCVEKEZ-UHFFFAOYSA-O
XLogP0.84
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8594586
[2-(cyclopropylamino)-2-oxoethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052930
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9198773
methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate
CID 75532248
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2567998
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9252639
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9166865
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium (CID 8555404) is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium is COc1cccc(NC(=O)C[NH+](C)CC(=O)NC2CCC(C)CC2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The InChIKey is WHQNOCOYCVEKEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O3/c1-14-7-9-15(10-8-14)20-18(23)12-22(2)13-19(24)21-16-5-4-6-17(11-16)25-3/h4-6,11,14-15H,7-10,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium has a molecular weight of 348.47 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8555404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).