(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

C18H29N2O2+ — CID 8557325

IUPAC(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O2/c1-14-6-4-5-7-17(14)19-18(21)13-20(2)12-15-8-10-16(22-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,19,21)/p+1/t14-,17+/m1/s1
InChIKeyGHBRWNUVPQCNOH-PBHICJAKSA-O
MW305.44 g/mol
LogP1.40
Rot. Bonds6

About (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (PubChem CID 8557325) has the molecular formula C18H29N2O2+ and a molecular weight of 305.44 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
PubChem CID8557325
Molecular FormulaC18H29N2O2+
Molecular Weight305.44 g/mol
Exact Mass305.22
IUPAC Name(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O2/c1-14-6-4-5-7-17(14)19-18(21)13-20(2)12-15-8-10-16(22-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,19,21)/p+1/t14-,17+/m1/s1
InChIKeyGHBRWNUVPQCNOH-PBHICJAKSA-O
XLogP1.40
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8676651
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556131
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11933594
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136682
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 11930201
(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709235
(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9318759
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 11935746
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549546

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (CID 8557325) is (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is COc1ccc(C[NH+](C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The InChIKey is GHBRWNUVPQCNOH-PBHICJAKSA-O. The full InChI is InChI=1S/C18H28N2O2/c1-14-6-4-5-7-17(14)19-18(21)13-20(2)12-15-8-10-16(22-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,19,21)/p+1/t14-,17+/m1/s1.
What are the key properties of (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium has a molecular weight of 305.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8557325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).