N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide

C11H15NO4 — CID 155523859

IUPACN,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(C(O)CC(=O)N(C)O)cc1
InChIInChI=1S/C11H15NO4/c1-12(15)11(14)7-10(13)8-3-5-9(16-2)6-4-8/h3-6,10,13,15H,7H2,1-2H3
InChIKeyTZNKDWUSWZBIAP-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.97
Rot. Bonds4

About N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide

N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 155523859) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID155523859
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(C(O)CC(=O)N(C)O)cc1
InChIInChI=1S/C11H15NO4/c1-12(15)11(14)7-10(13)8-3-5-9(16-2)6-4-8/h3-6,10,13,15H,7H2,1-2H3
InChIKeyTZNKDWUSWZBIAP-UHFFFAOYSA-N
XLogP0.97
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide (CID 155523859) is N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(C(O)CC(=O)N(C)O)cc1.
What is the InChIKey of N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is TZNKDWUSWZBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-12(15)11(14)7-10(13)8-3-5-9(16-2)6-4-8/h3-6,10,13,15H,7H2,1-2H3.
What are the key properties of N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide?
N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 225.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 155523859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).