N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide

C21H20N2O3 — CID 4133967

IUPACN-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCOc1cccc(C(C)=NNC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H20N2O3/c1-15(17-8-5-9-19(12-17)25-2)22-23-21(24)14-26-20-11-10-16-6-3-4-7-18(16)13-20/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeySOWFITYDKRIQJL-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.77
Rot. Bonds6

About N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide

N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 4133967) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID4133967
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCOc1cccc(C(C)=NNC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H20N2O3/c1-15(17-8-5-9-19(12-17)25-2)22-23-21(24)14-26-20-11-10-16-6-3-4-7-18(16)13-20/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeySOWFITYDKRIQJL-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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

N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 4251072
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 6027225

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide (CID 4133967) is N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide is COc1cccc(C(C)=NNC(=O)COc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is SOWFITYDKRIQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(17-8-5-9-19(12-17)25-2)22-23-21(24)14-26-20-11-10-16-6-3-4-7-18(16)13-20/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 348.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 4133967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).