4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide

C11H16N2O3 — CID 171898897

IUPAC4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cc(C(O)C(O)CC(N)=O)ccc1N
InChIInChI=1S/C11H16N2O3/c1-6-4-7(2-3-8(6)12)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5,12H2,1H3,(H2,13,15)
InChIKeyHLFBCYWOHWOBRT-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.15
Rot. Bonds4

About 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide

4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide (PubChem CID 171898897) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
PubChem CID171898897
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cc(C(O)C(O)CC(N)=O)ccc1N
InChIInChI=1S/C11H16N2O3/c1-6-4-7(2-3-8(6)12)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5,12H2,1H3,(H2,13,15)
InChIKeyHLFBCYWOHWOBRT-UHFFFAOYSA-N
XLogP-0.15
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.15
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-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
1-(4-amino-3-methylphenyl)-3-bromopropane-1,2-diol
CID 171859705
1-(4-amino-3-methylphenyl)-4-sulfanylbutane-1,2-diol
CID 171873815
S-[3-(4-amino-3-methylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821657
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171899827
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide (CID 171898897) is 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide is Cc1cc(C(O)C(O)CC(N)=O)ccc1N.
What is the InChIKey of 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide?
The InChIKey is HLFBCYWOHWOBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-4-7(2-3-8(6)12)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5,12H2,1H3,(H2,13,15).
What are the key properties of 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide?
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide has a molecular weight of 224.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).