[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium

C24H31N2O3+ — CID 7696515

IUPAC[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C24H30N2O3/c1-26(2)24(15-7-4-8-16-24)18-25-22(27)17-29-21-13-11-20(12-14-21)23(28)19-9-5-3-6-10-19/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,25,27)/p+1
InChIKeyOTIRUMHFNSKCSQ-UHFFFAOYSA-O
MW395.52 g/mol
LogP2.26
Rot. Bonds8

About [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium

[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium (PubChem CID 7696515) has the molecular formula C24H31N2O3+ and a molecular weight of 395.52 g/mol. Its IUPAC name is [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium
PubChem CID7696515
Molecular FormulaC24H31N2O3+
Molecular Weight395.52 g/mol
Exact Mass395.23
IUPAC Name[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C24H30N2O3/c1-26(2)24(15-7-4-8-16-24)18-25-22(27)17-29-21-13-11-20(12-14-21)23(28)19-9-5-3-6-10-19/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,25,27)/p+1
InChIKeyOTIRUMHFNSKCSQ-UHFFFAOYSA-O
XLogP2.26
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium
CID 7831379
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
CID 9315010
methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
CID 134038073
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
2-(4-acetylphenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2579923
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850

Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium?
The IUPAC name of [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium (CID 7696515) is [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium.
What is the SMILES notation for [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium?
The canonical SMILES for [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium is C[NH+](C)C1(CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1.
What is the InChIKey of [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium?
The InChIKey is OTIRUMHFNSKCSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N2O3/c1-26(2)24(15-7-4-8-16-24)18-25-22(27)17-29-21-13-11-20(12-14-21)23(28)19-9-5-3-6-10-19/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,25,27)/p+1.
What are the key properties of [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium?
[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium has a molecular weight of 395.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium is sourced from PubChem (CID 7696515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).