2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide

C21H23N3O3 — CID 6107555

IUPAC2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-4-24-14-16(17-7-5-6-8-18(17)24)13-22-23-21(25)12-15-9-10-19(26-2)20(11-15)27-3/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)/b22-13-
InChIKeyZRODIOGXTVEBOD-XKZIYDEJSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide (PubChem CID 6107555) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
PubChem CID6107555
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-4-24-14-16(17-7-5-6-8-18(17)24)13-22-23-21(25)12-15-9-10-19(26-2)20(11-15)27-3/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)/b22-13-
InChIKeyZRODIOGXTVEBOD-XKZIYDEJSA-N
XLogP3.37
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
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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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 6243634
2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 126364382
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137122723
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
2-(3,4-dimethylphenyl)-N-[[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5033180
ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
CID 126368555
methyl 5-[[3-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126398847
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147802
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526255
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide (CID 6107555) is 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide is CCn1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
The InChIKey is ZRODIOGXTVEBOD-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24-14-16(17-7-5-6-8-18(17)24)13-22-23-21(25)12-15-9-10-19(26-2)20(11-15)27-3/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)/b22-13-.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.37, 7 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-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 6107555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).