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

C12H18N2O3 — CID 171899234

IUPAC4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
SMILESCc1c(N)ccc(C(O)C(O)CC(N)=O)c1C
InChIInChI=1S/C12H18N2O3/c1-6-7(2)9(13)4-3-8(6)12(17)10(15)5-11(14)16/h3-4,10,12,15,17H,5,13H2,1-2H3,(H2,14,16)
InChIKeyPAAQOGPSQXDSAW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.16
Rot. Bonds4

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

4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide (PubChem CID 171899234) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
PubChem CID171899234
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
SMILESCc1c(N)ccc(C(O)C(O)CC(N)=O)c1C
InChIInChI=1S/C12H18N2O3/c1-6-7(2)9(13)4-3-8(6)12(17)10(15)5-11(14)16/h3-4,10,12,15,17H,5,13H2,1-2H3,(H2,14,16)
InChIKeyPAAQOGPSQXDSAW-UHFFFAOYSA-N
XLogP0.16
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
1-(4-amino-2,3-dimethylphenyl)-3-bromopropane-1,2-diol
CID 171860042
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methylbenzoic acid
CID 171899487
3-amino-4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899635
3,4-dihydroxy-4-(2-methyl-3-nitrophenyl)butanamide
CID 171899655
4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899304

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide (CID 171899234) is 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide is Cc1c(N)ccc(C(O)C(O)CC(N)=O)c1C.
What is the InChIKey of 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
The InChIKey is PAAQOGPSQXDSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-6-7(2)9(13)4-3-8(6)12(17)10(15)5-11(14)16/h3-4,10,12,15,17H,5,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide?
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide has a molecular weight of 238.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).