N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide

C22H22N2O5 — CID 90497468

IUPACN'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H22N2O5/c1-28-19-11-10-15(12-20(19)29-2)24-22(27)21(26)23-13-18(25)17-9-5-7-14-6-3-4-8-16(14)17/h3-12,18,25H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyPSIGZDJSMGYGRX-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.65
Rot. Bonds6

About N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide

N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide (PubChem CID 90497468) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
PubChem CID90497468
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H22N2O5/c1-28-19-11-10-15(12-20(19)29-2)24-22(27)21(26)23-13-18(25)17-9-5-7-14-6-3-4-8-16(14)17/h3-12,18,25H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyPSIGZDJSMGYGRX-UHFFFAOYSA-N
XLogP2.65
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598246
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]oxamide
CID 95367281
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598995
N-(2-hydroxy-2-naphthalen-1-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 56764179
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813230
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide (CID 90497468) is N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide is COc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The InChIKey is PSIGZDJSMGYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-28-19-11-10-15(12-20(19)29-2)24-22(27)21(26)23-13-18(25)17-9-5-7-14-6-3-4-8-16(14)17/h3-12,18,25H,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide has a molecular weight of 394.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide is sourced from PubChem (CID 90497468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).