2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

C20H21N3O2 — CID 135922503

IUPAC2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2c(C)[nH]c3ccccc23)c1C
InChIInChI=1S/C20H21N3O2/c1-13-7-6-10-19(14(13)2)25-12-20(24)23-21-11-17-15(3)22-18-9-5-4-8-16(17)18/h4-11,22H,12H2,1-3H3,(H,23,24)/b21-11-
InChIKeyVDBRYGMUOGRHJN-NHDPSOOVSA-N
MW335.41 g/mol
LogP3.62
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 135922503) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID135922503
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2c(C)[nH]c3ccccc23)c1C
InChIInChI=1S/C20H21N3O2/c1-13-7-6-10-19(14(13)2)25-12-20(24)23-21-11-17-15(3)22-18-9-5-4-8-16(17)18/h4-11,22H,12H2,1-3H3,(H,23,24)/b21-11-
InChIKeyVDBRYGMUOGRHJN-NHDPSOOVSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136900787
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135419996
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 594133
2-(2,3-dimethylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 957917
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 968085
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5426229
ethyl (4R)-6-methyl-4-[2-[2-[2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 137139397

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (CID 135922503) is 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is Cc1cccc(OCC(=O)N/N=C\c2c(C)[nH]c3ccccc23)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is VDBRYGMUOGRHJN-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-7-6-10-19(14(13)2)25-12-20(24)23-21-11-17-15(3)22-18-9-5-4-8-16(17)18/h4-11,22H,12H2,1-3H3,(H,23,24)/b21-11-.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 135922503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).