2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide

C23H27N3O2 — CID 90003960

IUPAC2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1OCC(=O)N/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C23H27N3O2/c1-15(2)18-8-6-9-19(16(3)4)23(18)28-14-22(27)26-25-13-17-7-5-10-21-20(17)11-12-24-21/h5-13,15-16,24H,14H2,1-4H3,(H,26,27)/b25-13+
InChIKeyLXIQQTRGIPJWNL-DHRITJCHSA-N
MW377.49 g/mol
LogP4.94
Rot. Bonds7

About 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide

2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide (PubChem CID 90003960) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
PubChem CID90003960
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1OCC(=O)N/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C23H27N3O2/c1-15(2)18-8-6-9-19(16(3)4)23(18)28-14-22(27)26-25-13-17-7-5-10-21-20(17)11-12-24-21/h5-13,15-16,24H,14H2,1-4H3,(H,26,27)/b25-13+
InChIKeyLXIQQTRGIPJWNL-DHRITJCHSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.94
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

2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90004082
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 73426665
2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90003929
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 136914835
N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924840
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198
2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
CID 19190225
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide
CID 46501938

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide (CID 90003960) is 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide is CC(C)c1cccc(C(C)C)c1OCC(=O)N/N=C/c1cccc2[nH]ccc12.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The InChIKey is LXIQQTRGIPJWNL-DHRITJCHSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(2)18-8-6-9-19(16(3)4)23(18)28-14-22(27)26-25-13-17-7-5-10-21-20(17)11-12-24-21/h5-13,15-16,24H,14H2,1-4H3,(H,26,27)/b25-13+.
What are the key properties of 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 90003960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).