N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide

C21H17N3O2 — CID 135642435

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c25-21(14-26-18-10-9-15-5-1-2-6-16(15)11-18)24-23-13-17-12-22-20-8-4-3-7-19(17)20/h1-13,22H,14H2,(H,24,25)/b23-13+
InChIKeyBQFFRKSVMIPTBD-YDZHTSKRSA-N
MW343.39 g/mol
LogP3.85
Rot. Bonds5

About N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 135642435) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID135642435
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c25-21(14-26-18-10-9-15-5-1-2-6-16(15)11-18)24-23-13-17-12-22-20-8-4-3-7-19(17)20/h1-13,22H,14H2,(H,24,25)/b23-13+
InChIKeyBQFFRKSVMIPTBD-YDZHTSKRSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.85
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-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
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
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
CID 136700927
2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 171978736
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858114

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide (CID 135642435) is N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is BQFFRKSVMIPTBD-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(14-26-18-10-9-15-5-1-2-6-16(15)11-18)24-23-13-17-12-22-20-8-4-3-7-19(17)20/h1-13,22H,14H2,(H,24,25)/b23-13+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 343.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 135642435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).