3-(2-amino-4-hydroxy-6-methylphenyl)propanamide

C10H14N2O2 — CID 142306659

IUPAC3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
SMILESCc1cc(O)cc(N)c1CCC(N)=O
InChIInChI=1S/C10H14N2O2/c1-6-4-7(13)5-9(11)8(6)2-3-10(12)14/h4-5,13H,2-3,11H2,1H3,(H2,12,14)
InChIKeyXGONTWHCPFNVMD-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.70
Rot. Bonds3

About 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide

3-(2-amino-4-hydroxy-6-methylphenyl)propanamide (PubChem CID 142306659) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
PubChem CID142306659
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
SMILESCc1cc(O)cc(N)c1CCC(N)=O
InChIInChI=1S/C10H14N2O2/c1-6-4-7(13)5-9(11)8(6)2-3-10(12)14/h4-5,13H,2-3,11H2,1H3,(H2,12,14)
InChIKeyXGONTWHCPFNVMD-UHFFFAOYSA-N
XLogP0.70
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
The IUPAC name of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide (CID 142306659) is 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
The canonical SMILES for 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide is Cc1cc(O)cc(N)c1CCC(N)=O.
What is the InChIKey of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
The InChIKey is XGONTWHCPFNVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-4-7(13)5-9(11)8(6)2-3-10(12)14/h4-5,13H,2-3,11H2,1H3,(H2,12,14).
What are the key properties of 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
3-(2-amino-4-hydroxy-6-methylphenyl)propanamide has a molecular weight of 194.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-6-methylphenyl)propanamide is sourced from PubChem (CID 142306659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).