N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide

C13H17NO4 — CID 59376507

IUPACN-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide
SMILESCCC(=O)Nc1c(OC)ccc(C(=O)CC)c1O
InChIInChI=1S/C13H17NO4/c1-4-9(15)8-6-7-10(18-3)12(13(8)17)14-11(16)5-2/h6-7,17H,4-5H2,1-3H3,(H,14,16)
InChIKeyUNJKUPRXQCDSFQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.34
Rot. Bonds5

About N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide

N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide (PubChem CID 59376507) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide
PubChem CID59376507
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide
SMILESCCC(=O)Nc1c(OC)ccc(C(=O)CC)c1O
InChIInChI=1S/C13H17NO4/c1-4-9(15)8-6-7-10(18-3)12(13(8)17)14-11(16)5-2/h6-7,17H,4-5H2,1-3H3,(H,14,16)
InChIKeyUNJKUPRXQCDSFQ-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
3-[3-methoxy-2-(propanoylamino)phenyl]propanoic acid
CID 68521040
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
CID 13287046
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603
methyl 2-hydroxy-4-methoxy-3-propylbenzoate
CID 14719500
N-(2-chloro-4,6-dimethoxyphenyl)propanamide
CID 38114192
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide (CID 59376507) is N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide is CCC(=O)Nc1c(OC)ccc(C(=O)CC)c1O.
What is the InChIKey of N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide?
The InChIKey is UNJKUPRXQCDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-9(15)8-6-7-10(18-3)12(13(8)17)14-11(16)5-2/h6-7,17H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide?
N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide has a molecular weight of 251.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide is sourced from PubChem (CID 59376507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).