3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide

C14H19NO4 — CID 103339075

IUPAC3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCOC)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H19NO4/c1-4-7-15(8-9-18-2)14(17)11-5-6-13(19-3)12(16)10-11/h4-6,10,16H,1,7-9H2,2-3H3
InChIKeyRSPMSQVGBABCOH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds7

About 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide

3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (PubChem CID 103339075) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
PubChem CID103339075
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCOC)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H19NO4/c1-4-7-15(8-9-18-2)14(17)11-5-6-13(19-3)12(16)10-11/h4-6,10,16H,1,7-9H2,2-3H3
InChIKeyRSPMSQVGBABCOH-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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Related Compounds

3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
CID 103339943
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (CID 103339075) is 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCOC)C(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is RSPMSQVGBABCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-7-15(8-9-18-2)14(17)11-5-6-13(19-3)12(16)10-11/h4-6,10,16H,1,7-9H2,2-3H3.
What are the key properties of 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
3-hydroxy-4-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 3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 103339075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).