3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide

C12H17NO4 — CID 82829209

IUPAC3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCCOCCO
InChIInChI=1S/C12H17NO4/c1-9-10(3-2-4-11(9)15)12(16)13-5-7-17-8-6-14/h2-4,14-15H,5-8H2,1H3,(H,13,16)
InChIKeyCRTDZFRYJLNCRG-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.44
Rot. Bonds6

About 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide

3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide (PubChem CID 82829209) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
PubChem CID82829209
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCCOCCO
InChIInChI=1S/C12H17NO4/c1-9-10(3-2-4-11(9)15)12(16)13-5-7-17-8-6-14/h2-4,14-15H,5-8H2,1H3,(H,13,16)
InChIKeyCRTDZFRYJLNCRG-UHFFFAOYSA-N
XLogP0.44
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 110463514
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide
CID 156721380
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide (CID 82829209) is 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCCOCCO.
What is the InChIKey of 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide?
The InChIKey is CRTDZFRYJLNCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9-10(3-2-4-11(9)15)12(16)13-5-7-17-8-6-14/h2-4,14-15H,5-8H2,1H3,(H,13,16).
What are the key properties of 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide?
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide is sourced from PubChem (CID 82829209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).