N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

C21H20N2O3 — CID 6895403

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+
InChIKeyMMJUJYOIYOJEPL-HYARGMPZSA-N
MW348.40 g/mol
LogP3.55
Rot. Bonds6

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 6895403) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID6895403
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+
InChIKeyMMJUJYOIYOJEPL-HYARGMPZSA-N
XLogP3.55
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 6895403) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is MMJUJYOIYOJEPL-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 348.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 6895403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).