4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide

C12H17NO3 — CID 171898729

IUPAC4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cccc(C(O)C(O)CC(N)=O)c1C
InChIInChI=1S/C12H17NO3/c1-7-4-3-5-9(8(7)2)12(16)10(14)6-11(13)15/h3-5,10,12,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyFNCARDLQSNVOSL-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.57
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide

4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide (PubChem CID 171898729) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
PubChem CID171898729
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cccc(C(O)C(O)CC(N)=O)c1C
InChIInChI=1S/C12H17NO3/c1-7-4-3-5-9(8(7)2)12(16)10(14)6-11(13)15/h3-5,10,12,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyFNCARDLQSNVOSL-UHFFFAOYSA-N
XLogP0.57
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
3,4-dihydroxy-4-(2-methyl-3-nitrophenyl)butanamide
CID 171899655
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
3,4-dihydroxy-4-(2-methylsulfonylphenyl)butanamide
CID 171899451
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
CID 171899043
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171899442

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide (CID 171898729) is 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide is Cc1cccc(C(O)C(O)CC(N)=O)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
The InChIKey is FNCARDLQSNVOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-4-3-5-9(8(7)2)12(16)10(14)6-11(13)15/h3-5,10,12,14,16H,6H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide has a molecular weight of 223.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).