3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide

C15H23NO2 — CID 115139292

IUPAC3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(C)c(CCNC(=O)CCO)c1C
InChIInChI=1S/C15H23NO2/c1-10-9-11(2)13(4)14(12(10)3)5-7-16-15(18)6-8-17/h9,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyJATGYSSNWVQJHP-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.96
Rot. Bonds5

About 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide

3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide (PubChem CID 115139292) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide
PubChem CID115139292
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(C)c(CCNC(=O)CCO)c1C
InChIInChI=1S/C15H23NO2/c1-10-9-11(2)13(4)14(12(10)3)5-7-16-15(18)6-8-17/h9,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyJATGYSSNWVQJHP-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide
CID 115162114
N-(2-acetamidoethyl)-2-(2,3,5,6-tetramethylphenyl)acetamide
CID 110768038
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
N',N'-dimethyl-3-(2,3,5,6-tetramethylphenyl)propanehydrazide
CID 116847580
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005
3-chloro-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115162496
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide
CID 119326216
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038
3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115173755
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide?
The IUPAC name of 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide (CID 115139292) is 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide is Cc1cc(C)c(C)c(CCNC(=O)CCO)c1C.
What is the InChIKey of 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide?
The InChIKey is JATGYSSNWVQJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-9-11(2)13(4)14(12(10)3)5-7-16-15(18)6-8-17/h9,17H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide?
3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide is sourced from PubChem (CID 115139292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).