(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

C19H31N2O2+ — CID 11933594

IUPAC(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H30N2O2/c1-14-9-10-18(23-4)16(11-14)12-21(3)13-19(22)20-17-8-6-5-7-15(17)2/h9-11,15,17H,5-8,12-13H2,1-4H3,(H,20,22)/p+1/t15-,17+/m0/s1
InChIKeyOYAZYADTVNQZNL-DOTOQJQBSA-O
MW319.47 g/mol
LogP1.71
Rot. Bonds6

About (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (PubChem CID 11933594) has the molecular formula C19H31N2O2+ and a molecular weight of 319.47 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
PubChem CID11933594
Molecular FormulaC19H31N2O2+
Molecular Weight319.47 g/mol
Exact Mass319.24
IUPAC Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H30N2O2/c1-14-9-10-18(23-4)16(11-14)12-21(3)13-19(22)20-17-8-6-5-7-15(17)2/h9-11,15,17H,5-8,12-13H2,1-4H3,(H,20,22)/p+1/t15-,17+/m0/s1
InChIKeyOYAZYADTVNQZNL-DOTOQJQBSA-O
XLogP1.71
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136682
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide
CID 108796049
(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8557325
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium
CID 8805826
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8805450
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709235
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 9098010
[2-(1-adamantylamino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805268
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
CID 8805322

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (CID 11933594) is (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is COc1ccc(C)cc1C[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The InChIKey is OYAZYADTVNQZNL-DOTOQJQBSA-O. The full InChI is InChI=1S/C19H30N2O2/c1-14-9-10-18(23-4)16(11-14)12-21(3)13-19(22)20-17-8-6-5-7-15(17)2/h9-11,15,17H,5-8,12-13H2,1-4H3,(H,20,22)/p+1/t15-,17+/m0/s1.
What are the key properties of (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium has a molecular weight of 319.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 11933594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).