N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide

C20H24N2O6 — CID 90613607

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O6/c1-4-28-15-8-6-14(7-9-15)22-20(25)19(24)21-12-16(23)13-5-10-17(26-2)18(11-13)27-3/h5-11,16,23H,4,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYGUVLLSUQHJJCI-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.89
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide (PubChem CID 90613607) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
PubChem CID90613607
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O6/c1-4-28-15-8-6-14(7-9-15)22-20(25)19(24)21-12-16(23)13-5-10-17(26-2)18(11-13)27-3/h5-11,16,23H,4,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYGUVLLSUQHJJCI-UHFFFAOYSA-N
XLogP1.89
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide
CID 72717724
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613623
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613602
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide (CID 90613607) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is YGUVLLSUQHJJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-4-28-15-8-6-14(7-9-15)22-20(25)19(24)21-12-16(23)13-5-10-17(26-2)18(11-13)27-3/h5-11,16,23H,4,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 388.42 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 90613607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).