4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide

C12H18N2O3 — CID 171899222

IUPAC4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cc(C)c(N)c(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-6-3-7(2)11(14)8(4-6)12(17)9(15)5-10(13)16/h3-4,9,12,15,17H,5,14H2,1-2H3,(H2,13,16)
InChIKeyZIASVLZNTCGVJC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.16
Rot. Bonds4

About 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide

4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide (PubChem CID 171899222) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
PubChem CID171899222
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cc(C)c(N)c(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-6-3-7(2)11(14)8(4-6)12(17)9(15)5-10(13)16/h3-4,9,12,15,17H,5,14H2,1-2H3,(H2,13,16)
InChIKeyZIASVLZNTCGVJC-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'}

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Related Compounds

4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
CID 171868212
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
4-amino-1-(2-amino-3,5-dimethylphenyl)butane-1,2-diol
CID 171881305
1-(2-amino-3,5-dimethylphenyl)-4-chlorobutane-1,2-diol
CID 171893848
1-(2-amino-3,5-dimethylphenyl)-4-bromobutane-1,2-diol
CID 171892057
ethyl 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171866152
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide (CID 171899222) is 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide is Cc1cc(C)c(N)c(C(O)C(O)CC(N)=O)c1.
What is the InChIKey of 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide?
The InChIKey is ZIASVLZNTCGVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-6-3-7(2)11(14)8(4-6)12(17)9(15)5-10(13)16/h3-4,9,12,15,17H,5,14H2,1-2H3,(H2,13,16).
What are the key properties of 4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide?
4-(2-amino-3,5-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-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).