N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide

C13H17NO4 — CID 103890690

IUPACN-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
SMILESC=CCCOCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H17NO4/c1-2-3-8-18-9-7-14-13(17)12-10(15)5-4-6-11(12)16/h2,4-6,15-16H,1,3,7-9H2,(H,14,17)
InChIKeyVZSJCWQJRDRXCH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.42
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide

N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide (PubChem CID 103890690) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
PubChem CID103890690
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
SMILESC=CCCOCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H17NO4/c1-2-3-8-18-9-7-14-13(17)12-10(15)5-4-6-11(12)16/h2,4-6,15-16H,1,3,7-9H2,(H,14,17)
InChIKeyVZSJCWQJRDRXCH-UHFFFAOYSA-N
XLogP1.42
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
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

2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
4-bromo-N-(2-but-3-enoxyethyl)-2-hydroxybenzamide
CID 103857022
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
3-(2-but-3-enoxyethylcarbamoylamino)-2-hydroxybenzoic acid
CID 106405133
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide
CID 106398038
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
CID 103855622

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide (CID 103890690) is N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide is C=CCCOCCNC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide?
The InChIKey is VZSJCWQJRDRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-3-8-18-9-7-14-13(17)12-10(15)5-4-6-11(12)16/h2,4-6,15-16H,1,3,7-9H2,(H,14,17).
What are the key properties of N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide?
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide has a molecular weight of 251.28 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 103890690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).