N,3-dihydroxy-3-(2-methoxyphenyl)propanamide

C10H13NO4 — CID 72707598

IUPACN,3-dihydroxy-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C(O)CC(=O)NO
InChIInChI=1S/C10H13NO4/c1-15-9-5-3-2-4-7(9)8(12)6-10(13)11-14/h2-5,8,12,14H,6H2,1H3,(H,11,13)
InChIKeyHKRSBCYRZIIQME-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.62
Rot. Bonds4

About N,3-dihydroxy-3-(2-methoxyphenyl)propanamide

N,3-dihydroxy-3-(2-methoxyphenyl)propanamide (PubChem CID 72707598) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is N,3-dihydroxy-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-(2-methoxyphenyl)propanamide
PubChem CID72707598
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC NameN,3-dihydroxy-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C(O)CC(=O)NO
InChIInChI=1S/C10H13NO4/c1-15-9-5-3-2-4-7(9)8(12)6-10(13)11-14/h2-5,8,12,14H,6H2,1H3,(H,11,13)
InChIKeyHKRSBCYRZIIQME-UHFFFAOYSA-N
XLogP0.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.62
H-Bond Donors ≤ 53
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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Related Compounds

3-Hydroxy-3-(3-methoxyphenyl)propanamide
CID 660756
N,3-dihydroxy-3-(4-methoxyphenyl)propanamide
CID 72707665
N,3-dihydroxy-3-(3-methoxyphenyl)propanamide
CID 72707602
3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide
CID 72707673
N,3-dihydroxy-3-(3-methoxyphenyl)-N-methylpropanamide
CID 155547948
N,3-dihydroxy-3-(2-methoxyphenyl)-N-methylpropanamide
CID 155550012
2-[5-(Hydroxyamino)-5-oxo-pentoxy]benzoic acid
CID 126571722
3-(2-Ethoxyphenyl)propanamide
CID 43236707
N-hydroxy-7-(2-methylphenoxy)heptanamide
CID 39354517
2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide
CID 11218017
2-[(S)-hydroxy-(2-methoxyphenyl)methyl]prop-2-enamide
CID 101229681
N-methoxy-3-(2-methoxyphenyl)propanamide
CID 60717759

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N,3-dihydroxy-3-(2-methoxyphenyl)propanamide (CID 72707598) is N,3-dihydroxy-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N,3-dihydroxy-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N,3-dihydroxy-3-(2-methoxyphenyl)propanamide is COc1ccccc1C(O)CC(=O)NO.
What is the InChIKey of N,3-dihydroxy-3-(2-methoxyphenyl)propanamide?
The InChIKey is HKRSBCYRZIIQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-9-5-3-2-4-7(9)8(12)6-10(13)11-14/h2-5,8,12,14H,6H2,1H3,(H,11,13).
What are the key properties of N,3-dihydroxy-3-(2-methoxyphenyl)propanamide?
N,3-dihydroxy-3-(2-methoxyphenyl)propanamide has a molecular weight of 211.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 72707598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).