N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide

C14H19NO4 — CID 103857015

IUPACN-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
SMILESC=CCCOCCNC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H19NO4/c1-3-4-8-19-9-7-15-14(17)11-5-6-13(18-2)12(16)10-11/h3,5-6,10,16H,1,4,7-9H2,2H3,(H,15,17)
InChIKeyTXUWLGJNTTWVEM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide

N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 103857015) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
PubChem CID103857015
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
SMILESC=CCCOCCNC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H19NO4/c1-3-4-8-19-9-7-15-14(17)11-5-6-13(18-2)12(16)10-11/h3,5-6,10,16H,1,4,7-9H2,2H3,(H,15,17)
InChIKeyTXUWLGJNTTWVEM-UHFFFAOYSA-N
XLogP1.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
CID 106307767
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
CID 103855610
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
CID 113339522
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide (CID 103857015) is N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide is C=CCCOCCNC(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is TXUWLGJNTTWVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-4-8-19-9-7-15-14(17)11-5-6-13(18-2)12(16)10-11/h3,5-6,10,16H,1,4,7-9H2,2H3,(H,15,17).
What are the key properties of N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide?
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 103857015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).