N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide

C22H22N2O4 — CID 108510137

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-14(16-9-11-19(27-2)20(13-16)28-3)23-21(25)22(26)24-18-10-8-15-6-4-5-7-17(15)12-18/h4-14H,1-3H3,(H,23,25)(H,24,26)
InChIKeyJFLKGCLWCKGDOK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.67
Rot. Bonds5

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide (PubChem CID 108510137) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
PubChem CID108510137
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-14(16-9-11-19(27-2)20(13-16)28-3)23-21(25)22(26)24-18-10-8-15-6-4-5-7-17(15)12-18/h4-14H,1-3H3,(H,23,25)(H,24,26)
InChIKeyJFLKGCLWCKGDOK-UHFFFAOYSA-N
XLogP3.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-3-yloxamide
CID 108510113
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
CID 108510112
N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide
CID 75415105
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108500688
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide (CID 108510137) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide is COc1ccc(C(C)NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide?
The InChIKey is JFLKGCLWCKGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(16-9-11-19(27-2)20(13-16)28-3)23-21(25)22(26)24-18-10-8-15-6-4-5-7-17(15)12-18/h4-14H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide has a molecular weight of 378.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide is sourced from PubChem (CID 108510137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).