N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide

C21H19NO5 — CID 7763592

IUPACN-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)COc2ccc3ccccc3c2C=O)cc1OC
InChIInChI=1S/C21H19NO5/c1-25-19-10-8-15(11-20(19)26-2)22-21(24)13-27-18-9-7-14-5-3-4-6-16(14)17(18)12-23/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyXGQDUGCQVNLBNQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.69
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide

N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide (PubChem CID 7763592) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
PubChem CID7763592
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)COc2ccc3ccccc3c2C=O)cc1OC
InChIInChI=1S/C21H19NO5/c1-25-19-10-8-15(11-20(19)26-2)22-21(24)13-27-18-9-7-14-5-3-4-6-16(14)17(18)12-23/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyXGQDUGCQVNLBNQ-UHFFFAOYSA-N
XLogP3.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235
ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate
CID 7763576
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide (CID 7763592) is N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide is COc1ccc(NC(=O)COc2ccc3ccccc3c2C=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The InChIKey is XGQDUGCQVNLBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-19-10-8-15(11-20(19)26-2)22-21(24)13-27-18-9-7-14-5-3-4-6-16(14)17(18)12-23/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide?
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide has a molecular weight of 365.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 7763592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).