2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide

C21H23N3O3 — CID 6883912

IUPAC2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC
InChIInChI=1S/C21H23N3O3/c1-14-17(16-7-5-6-8-18(16)24(14)2)13-22-23-21(25)12-15-9-10-19(26-3)20(11-15)27-4/h5-11,13H,12H2,1-4H3,(H,23,25)/b22-13+
InChIKeyAOXYZBFFMRPJNH-LPYMAVHISA-N
MW365.43 g/mol
LogP3.20
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide

2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide (PubChem CID 6883912) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
PubChem CID6883912
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC
InChIInChI=1S/C21H23N3O3/c1-14-17(16-7-5-6-8-18(16)24(14)2)13-22-23-21(25)12-15-9-10-19(26-3)20(11-15)27-4/h5-11,13H,12H2,1-4H3,(H,23,25)/b22-13+
InChIKeyAOXYZBFFMRPJNH-LPYMAVHISA-N
XLogP3.20
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide (CID 6883912) is 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide is COc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
The InChIKey is AOXYZBFFMRPJNH-LPYMAVHISA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-17(16-7-5-6-8-18(16)24(14)2)13-22-23-21(25)12-15-9-10-19(26-3)20(11-15)27-4/h5-11,13H,12H2,1-4H3,(H,23,25)/b22-13+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 6883912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).