5-methoxy-2-prop-2-ynoxybenzamide

C11H11NO3 — CID 75485081

IUPAC5-methoxy-2-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(OC)cc1C(N)=O
InChIInChI=1S/C11H11NO3/c1-3-6-15-10-5-4-8(14-2)7-9(10)11(12)13/h1,4-5,7H,6H2,2H3,(H2,12,13)
InChIKeyOFSKXPBMKXNSPA-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.81
Rot. Bonds4

About 5-methoxy-2-prop-2-ynoxybenzamide

5-methoxy-2-prop-2-ynoxybenzamide (PubChem CID 75485081) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-methoxy-2-prop-2-ynoxybenzamide.

Molecular Properties

Compound Name5-methoxy-2-prop-2-ynoxybenzamide
PubChem CID75485081
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-methoxy-2-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(OC)cc1C(N)=O
InChIInChI=1S/C11H11NO3/c1-3-6-15-10-5-4-8(14-2)7-9(10)11(12)13/h1,4-5,7H,6H2,2H3,(H2,12,13)
InChIKeyOFSKXPBMKXNSPA-UHFFFAOYSA-N
XLogP0.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-hydroxybutoxy]-5-methoxybenzamide
CID 129393105
2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide
CID 129393106
5-(5-methoxy-2-prop-2-ynoxyphenyl)-2H-triazole-4-carboxamide
CID 169403412
2-amino-5-methoxybenzamide;ethane
CID 142071126
(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 46216664
2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994
4-methoxy-1-nitro-2-prop-2-ynoxybenzene
CID 102703166
[(4-methoxy-3-prop-2-ynoxyphenyl)methylideneamino]urea
CID 168533701
4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide
CID 131896434
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
5-[(5-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600062
5-methoxy-2-(methylamino)benzamide
CID 66991664

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-prop-2-ynoxybenzamide?
The IUPAC name of 5-methoxy-2-prop-2-ynoxybenzamide (CID 75485081) is 5-methoxy-2-prop-2-ynoxybenzamide.
What is the SMILES notation for 5-methoxy-2-prop-2-ynoxybenzamide?
The canonical SMILES for 5-methoxy-2-prop-2-ynoxybenzamide is C#CCOc1ccc(OC)cc1C(N)=O.
What is the InChIKey of 5-methoxy-2-prop-2-ynoxybenzamide?
The InChIKey is OFSKXPBMKXNSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-6-15-10-5-4-8(14-2)7-9(10)11(12)13/h1,4-5,7H,6H2,2H3,(H2,12,13).
What are the key properties of 5-methoxy-2-prop-2-ynoxybenzamide?
5-methoxy-2-prop-2-ynoxybenzamide has a molecular weight of 205.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-prop-2-ynoxybenzamide is sourced from PubChem (CID 75485081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).