3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide

C12H15NO6 — CID 171869052

IUPAC3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1cc(C=O)cc(OC)c1C(O)C(O)C(N)=O
InChIInChI=1S/C12H15NO6/c1-18-7-3-6(5-14)4-8(19-2)9(7)10(15)11(16)12(13)17/h3-5,10-11,15-16H,1-2H3,(H2,13,17)
InChIKeyRJFZENAEGKSTOL-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.60
Rot. Bonds6

About 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide

3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171869052) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171869052
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1cc(C=O)cc(OC)c1C(O)C(O)C(N)=O
InChIInChI=1S/C12H15NO6/c1-18-7-3-6(5-14)4-8(19-2)9(7)10(15)11(16)12(13)17/h3-5,10-11,15-16H,1-2H3,(H2,13,17)
InChIKeyRJFZENAEGKSTOL-UHFFFAOYSA-N
XLogP-0.60
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871119
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
2-(2-cyano-4-formyl-6-methoxyphenyl)-2-hydroxyacetic acid
CID 171014104
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868510
3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide
CID 171867942
3-(3-amino-1,2-dihydroxypropyl)-4,5-dimethoxybenzaldehyde
CID 170829175
(5-formyl-2-methoxyphenyl) 2-chloroacetate
CID 592476
methyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
CID 86662889
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
5-formyl-3-methoxy-2-nitrobenzamide
CID 171023186
ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
CID 169481017

Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide (CID 171869052) is 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide is COc1cc(C=O)cc(OC)c1C(O)C(O)C(N)=O.
What is the InChIKey of 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is RJFZENAEGKSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-18-7-3-6(5-14)4-8(19-2)9(7)10(15)11(16)12(13)17/h3-5,10-11,15-16H,1-2H3,(H2,13,17).
What are the key properties of 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide?
3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 269.25 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).