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

C22H21NO5 — CID 7763235

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ccc3ccccc3c2C=O)cc1OC
InChIInChI=1S/C22H21NO5/c1-26-20-9-7-15(11-21(20)27-2)12-23-22(25)14-28-19-10-8-16-5-3-4-6-17(16)18(19)13-24/h3-11,13H,12,14H2,1-2H3,(H,23,25)
InChIKeyTVQRYGKPSSPBQH-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.36
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (PubChem CID 7763235) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
PubChem CID7763235
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ccc3ccccc3c2C=O)cc1OC
InChIInChI=1S/C22H21NO5/c1-26-20-9-7-15(11-21(20)27-2)12-23-22(25)14-28-19-10-8-16-5-3-4-6-17(16)18(19)13-24/h3-11,13H,12,14H2,1-2H3,(H,23,25)
InChIKeyTVQRYGKPSSPBQH-UHFFFAOYSA-N
XLogP3.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.36
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-(2-methoxyphenoxy)acetamide
CID 7928589
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544260

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (CID 7763235) is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is COc1ccc(CNC(=O)COc2ccc3ccccc3c2C=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The InChIKey is TVQRYGKPSSPBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-20-9-7-15(11-21(20)27-2)12-23-22(25)14-28-19-10-8-16-5-3-4-6-17(16)18(19)13-24/h3-11,13H,12,14H2,1-2H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide has a molecular weight of 379.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 7763235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).