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

C19H22N2O6 — CID 90613593

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC(O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22N2O6/c1-25-14-6-4-5-13(10-14)21-19(24)18(23)20-11-15(22)12-7-8-16(26-2)17(9-12)27-3/h4-10,15,22H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPVBVINYMNVAZBA-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.50
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide (PubChem CID 90613593) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
PubChem CID90613593
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC(O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22N2O6/c1-25-14-6-4-5-13(10-14)21-19(24)18(23)20-11-15(22)12-7-8-16(26-2)17(9-12)27-3/h4-10,15,22H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPVBVINYMNVAZBA-UHFFFAOYSA-N
XLogP1.50
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.50
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]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613623
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
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]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497468
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
N'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 90613580

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide (CID 90613593) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NCC(O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide?
The InChIKey is PVBVINYMNVAZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-25-14-6-4-5-13(10-14)21-19(24)18(23)20-11-15(22)12-7-8-16(26-2)17(9-12)27-3/h4-10,15,22H,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide has a molecular weight of 374.39 g/mol, XLogP of 1.50, 7 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'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 90613593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).