N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide

C12H17NO4 — CID 107689617

IUPACN-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO4/c1-2-13(7-4-8-14)12(17)11-9(15)5-3-6-10(11)16/h3,5-6,14-16H,2,4,7-8H2,1H3
InChIKeyQGXWGIRDGZDYMC-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.94
Rot. Bonds5

About N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide

N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide (PubChem CID 107689617) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
PubChem CID107689617
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO4/c1-2-13(7-4-8-14)12(17)11-9(15)5-3-6-10(11)16/h3,5-6,14-16H,2,4,7-8H2,1H3
InChIKeyQGXWGIRDGZDYMC-UHFFFAOYSA-N
XLogP0.94
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide
CID 118760660
N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
CID 115771939
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide?
The IUPAC name of N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide (CID 107689617) is N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide is CCN(CCCO)C(=O)c1c(O)cccc1O.
What is the InChIKey of N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide?
The InChIKey is QGXWGIRDGZDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-13(7-4-8-14)12(17)11-9(15)5-3-6-10(11)16/h3,5-6,14-16H,2,4,7-8H2,1H3.
What are the key properties of N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide?
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide has a molecular weight of 239.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 107689617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).