N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

C24H23N3O4 — CID 4269018

IUPACN'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESC=CCOc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1OCC
InChIInChI=1S/C24H23N3O4/c1-3-14-31-21-13-12-17(15-22(21)30-4-2)16-25-27-24(29)23(28)26-20-11-7-9-18-8-5-6-10-19(18)20/h3,5-13,15-16H,1,4,14H2,2H3,(H,26,28)(H,27,29)
InChIKeyLFTWXRLJBJZULC-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.89
Rot. Bonds8

About N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 4269018) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID4269018
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESC=CCOc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1OCC
InChIInChI=1S/C24H23N3O4/c1-3-14-31-21-13-12-17(15-22(21)30-4-2)16-25-27-24(29)23(28)26-20-11-7-9-18-8-5-6-10-19(18)20/h3,5-13,15-16H,1,4,14H2,2H3,(H,26,28)(H,27,29)
InChIKeyLFTWXRLJBJZULC-UHFFFAOYSA-N
XLogP3.89
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 19658408
N-(3-bromophenyl)-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4605611
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
N-[(3,4-diethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1350700
N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 94847093
N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 4109953
N-[(3-bromophenyl)methyl]-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4148335
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3983717
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135756956
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 4269018) is N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is C=CCOc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1OCC.
What is the InChIKey of N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is LFTWXRLJBJZULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-3-14-31-21-13-12-17(15-22(21)30-4-2)16-25-27-24(29)23(28)26-20-11-7-9-18-8-5-6-10-19(18)20/h3,5-13,15-16H,1,4,14H2,2H3,(H,26,28)(H,27,29).
What are the key properties of N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 417.47 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 4269018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).