2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide

C14H19NO4 — CID 103339084

IUPAC2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCOC)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H19NO4/c1-4-7-15(8-9-18-2)14(17)12-10-11(19-3)5-6-13(12)16/h4-6,10,16H,1,7-9H2,2-3H3
InChIKeyYIKFSRVKXBYSOV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds7

About 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide

2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (PubChem CID 103339084) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
PubChem CID103339084
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCOC)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H19NO4/c1-4-7-15(8-9-18-2)14(17)12-10-11(19-3)5-6-13(12)16/h4-6,10,16H,1,7-9H2,2-3H3
InChIKeyYIKFSRVKXBYSOV-UHFFFAOYSA-N
XLogP1.68
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (CID 103339084) is 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCOC)C(=O)c1cc(OC)ccc1O.
What is the InChIKey of 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is YIKFSRVKXBYSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-7-15(8-9-18-2)14(17)12-10-11(19-3)5-6-13(12)16/h4-6,10,16H,1,7-9H2,2-3H3.
What are the key properties of 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 103339084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).