N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide

C19H22N2O5 — CID 90499706

IUPACN'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCC(O)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-25-14-8-9-15(17(12-14)26-2)21-19(24)18(23)20-11-10-16(22)13-6-4-3-5-7-13/h3-9,12,16,22H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKFNAINALQQSISX-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.88
Rot. Bonds7

About N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide

N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide (PubChem CID 90499706) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
PubChem CID90499706
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCC(O)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-25-14-8-9-15(17(12-14)26-2)21-19(24)18(23)20-11-10-16(22)13-6-4-3-5-7-13/h3-9,12,16,22H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKFNAINALQQSISX-UHFFFAOYSA-N
XLogP1.88
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.88
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

1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
CID 44998153
N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide
CID 42696932
N'-(2,5-dimethoxyphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523941
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 121132648
N'-(2,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598245
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide (CID 90499706) is N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide is COc1ccc(NC(=O)C(=O)NCCC(O)c2ccccc2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
The InChIKey is KFNAINALQQSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-25-14-8-9-15(17(12-14)26-2)21-19(24)18(23)20-11-10-16(22)13-6-4-3-5-7-13/h3-9,12,16,22H,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide has a molecular weight of 358.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide is sourced from PubChem (CID 90499706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).