[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

C20H26N3O4+ — CID 8816741

IUPAC[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-23(14-20(25)22-16-7-9-17(26-2)10-8-16)13-19(24)21-12-15-5-4-6-18(11-15)27-3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyNUICPMYNUPGKBD-UHFFFAOYSA-O
MW372.45 g/mol
LogP0.47
Rot. Bonds9

About [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 8816741) has the molecular formula C20H26N3O4+ and a molecular weight of 372.45 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID8816741
Molecular FormulaC20H26N3O4+
Molecular Weight372.45 g/mol
Exact Mass372.19
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-23(14-20(25)22-16-7-9-17(26-2)10-8-16)13-19(24)21-12-15-5-4-6-18(11-15)27-3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyNUICPMYNUPGKBD-UHFFFAOYSA-O
XLogP0.47
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9167203
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8780652
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (CID 8816741) is [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is COc1ccc(NC(=O)C[NH+](C)CC(=O)NCc2cccc(OC)c2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is NUICPMYNUPGKBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O4/c1-23(14-20(25)22-16-7-9-17(26-2)10-8-16)13-19(24)21-12-15-5-4-6-18(11-15)27-3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 372.45 g/mol, XLogP of 0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8816741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).