benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium

C24H27N2O3+ — CID 8730102

IUPACbenzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(OC)c(NC(=O)C[NH+](C)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-26(17-23(27)25-21-16-20(28-2)14-15-22(21)29-3)24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,17H2,1-3H3,(H,25,27)/p+1
InChIKeyWAXFZIFUUATLLF-UHFFFAOYSA-O
MW391.49 g/mol
LogP2.95
Rot. Bonds8

About benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium

benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 8730102) has the molecular formula C24H27N2O3+ and a molecular weight of 391.49 g/mol. Its IUPAC name is benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Namebenzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID8730102
Molecular FormulaC24H27N2O3+
Molecular Weight391.49 g/mol
Exact Mass391.20
IUPAC Namebenzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(OC)c(NC(=O)C[NH+](C)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-26(17-23(27)25-21-16-20(28-2)14-15-22(21)29-3)24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,17H2,1-3H3,(H,25,27)/p+1
InChIKeyWAXFZIFUUATLLF-UHFFFAOYSA-O
XLogP2.95
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide
CID 51961248
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 2657779
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
CID 41098079
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
N-(2,5-dimethoxyphenyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 17457335

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium (CID 8730102) is benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(OC)c(NC(=O)C[NH+](C)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is WAXFZIFUUATLLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O3/c1-26(17-23(27)25-21-16-20(28-2)14-15-22(21)29-3)24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,17H2,1-3H3,(H,25,27)/p+1.
What are the key properties of benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 391.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8730102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).