2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide

C20H21N3O2 — CID 5393275

IUPAC2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCc1cccc(C)c1OCC(=O)N/N=C\c1cn(C)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-14-7-6-8-15(2)20(14)25-13-19(24)22-21-11-16-12-23(3)18-10-5-4-9-17(16)18/h4-12H,13H2,1-3H3,(H,22,24)/b21-11-
InChIKeyBGISILJAOPBVCK-NHDPSOOVSA-N
MW335.41 g/mol
LogP3.32
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide

2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide (PubChem CID 5393275) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
PubChem CID5393275
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCc1cccc(C)c1OCC(=O)N/N=C\c1cn(C)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-14-7-6-8-15(2)20(14)25-13-19(24)22-21-11-16-12-23(3)18-10-5-4-9-17(16)18/h4-12H,13H2,1-3H3,(H,22,24)/b21-11-
InChIKeyBGISILJAOPBVCK-NHDPSOOVSA-N
XLogP3.32
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5426229
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389
2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide
CID 831295
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 46501967
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6129551
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 110524912
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110526254

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide (CID 5393275) is 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide is Cc1cccc(C)c1OCC(=O)N/N=C\c1cn(C)c2ccccc12.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The InChIKey is BGISILJAOPBVCK-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-7-6-8-15(2)20(14)25-13-19(24)22-21-11-16-12-23(3)18-10-5-4-9-17(16)18/h4-12H,13H2,1-3H3,(H,22,24)/b21-11-.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 5393275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).