3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide

C12H17NO4 — CID 171899098

IUPAC3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
SMILESCOc1ccc(C(O)C(O)CC(N)=O)cc1C
InChIInChI=1S/C12H17NO4/c1-7-5-8(3-4-10(7)17-2)12(16)9(14)6-11(13)15/h3-5,9,12,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyMYFOPKUCOFQVMU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.27
Rot. Bonds5

About 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide

3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide (PubChem CID 171899098) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
PubChem CID171899098
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
SMILESCOc1ccc(C(O)C(O)CC(N)=O)cc1C
InChIInChI=1S/C12H17NO4/c1-7-5-8(3-4-10(7)17-2)12(16)9(14)6-11(13)15/h3-5,9,12,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyMYFOPKUCOFQVMU-UHFFFAOYSA-N
XLogP0.27
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-methoxybenzoic acid
CID 171899771
4-(3-cyano-4-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899660
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
3,4-dihydroxy-4-(4-methoxy-3-nitrophenyl)butanamide
CID 171899886
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
CID 112510105
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 66338003
4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899304
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide (CID 171899098) is 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide is COc1ccc(C(O)C(O)CC(N)=O)cc1C.
What is the InChIKey of 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide?
The InChIKey is MYFOPKUCOFQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-7-5-8(3-4-10(7)17-2)12(16)9(14)6-11(13)15/h3-5,9,12,14,16H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide?
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide has a molecular weight of 239.27 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide is sourced from PubChem (CID 171899098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).