[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

C25H26N3O4+ — CID 2113876

IUPAC[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-28(16-23(29)26-19-12-14-20(32-2)15-13-19)17-24(30)27-22-11-7-6-10-21(22)25(31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeySUCDNXOGYZZCHH-UHFFFAOYSA-O
MW432.50 g/mol
LogP2.02
Rot. Bonds9

About [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 2113876) has the molecular formula C25H26N3O4+ and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID2113876
Molecular FormulaC25H26N3O4+
Molecular Weight432.50 g/mol
Exact Mass432.19
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-28(16-23(29)26-19-12-14-20(32-2)15-13-19)17-24(30)27-22-11-7-6-10-21(22)25(31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeySUCDNXOGYZZCHH-UHFFFAOYSA-O
XLogP2.02
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9223006
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222721
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
[2-(2-benzoylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250766
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9254694
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818470
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (CID 2113876) is [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is SUCDNXOGYZZCHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H25N3O4/c1-28(16-23(29)26-19-12-14-20(32-2)15-13-19)17-24(30)27-22-11-7-6-10-21(22)25(31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,29)(H,27,30)/p+1.
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 432.50 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2113876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).