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

C10H13NO4 — CID 72707602

IUPACN,3-dihydroxy-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(O)CC(=O)NO)c1
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-3-7(5-8)9(12)6-10(13)11-14/h2-5,9,12,14H,6H2,1H3,(H,11,13)
InChIKeyLRMXIYJORHWOCX-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.62
Rot. Bonds4

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

N,3-dihydroxy-3-(3-methoxyphenyl)propanamide (PubChem CID 72707602) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is N,3-dihydroxy-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-(3-methoxyphenyl)propanamide
PubChem CID72707602
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC NameN,3-dihydroxy-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(O)CC(=O)NO)c1
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-3-7(5-8)9(12)6-10(13)11-14/h2-5,9,12,14H,6H2,1H3,(H,11,13)
InChIKeyLRMXIYJORHWOCX-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

N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
N-hydroxy-3-(3-methylphenoxy)propanamide
CID 24705008
3-Hydroxy-3-(3-methoxyphenyl)propanamide
CID 660756
N,3-dihydroxy-3-(4-methoxyphenyl)propanamide
CID 72707665
N-hydroxy-3-(4-methoxyphenyl)propanamide
CID 12814960
N,3-dihydroxy-3-(2-methoxyphenyl)propanamide
CID 72707598
N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide
CID 72707601
N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 72707666
3-(5-fluoro-2-methoxyphenyl)-N,3-dihydroxypropanamide
CID 72707673
3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155519422
N,3-dihydroxy-3-(4-methoxyphenyl)-N-methylpropanamide
CID 155523859
N,3-dihydroxy-3-(3-methoxyphenyl)-N-methylpropanamide
CID 155547948

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N,3-dihydroxy-3-(3-methoxyphenyl)propanamide (CID 72707602) is N,3-dihydroxy-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N,3-dihydroxy-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N,3-dihydroxy-3-(3-methoxyphenyl)propanamide is COc1cccc(C(O)CC(=O)NO)c1.
What is the InChIKey of N,3-dihydroxy-3-(3-methoxyphenyl)propanamide?
The InChIKey is LRMXIYJORHWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-8-4-2-3-7(5-8)9(12)6-10(13)11-14/h2-5,9,12,14H,6H2,1H3,(H,11,13).
What are the key properties of N,3-dihydroxy-3-(3-methoxyphenyl)propanamide?
N,3-dihydroxy-3-(3-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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 72707602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).