2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide

C18H29NO2 — CID 88783927

IUPAC2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide
SMILESCc1cc(C(C)(C)CC(C)(C)C)c(O)c(C)c1CC(N)=O
InChIInChI=1S/C18H29NO2/c1-11-8-14(18(6,7)10-17(3,4)5)16(21)12(2)13(11)9-15(19)20/h8,21H,9-10H2,1-7H3,(H2,19,20)
InChIKeySFFQHOFOZVZYMZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.75
Rot. Bonds4

About 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide

2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide (PubChem CID 88783927) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide
PubChem CID88783927
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide
SMILESCc1cc(C(C)(C)CC(C)(C)C)c(O)c(C)c1CC(N)=O
InChIInChI=1S/C18H29NO2/c1-11-8-14(18(6,7)10-17(3,4)5)16(21)12(2)13(11)9-15(19)20/h8,21H,9-10H2,1-7H3,(H2,19,20)
InChIKeySFFQHOFOZVZYMZ-UHFFFAOYSA-N
XLogP3.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide (CID 88783927) is 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide is Cc1cc(C(C)(C)CC(C)(C)C)c(O)c(C)c1CC(N)=O.
What is the InChIKey of 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide?
The InChIKey is SFFQHOFOZVZYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-11-8-14(18(6,7)10-17(3,4)5)16(21)12(2)13(11)9-15(19)20/h8,21H,9-10H2,1-7H3,(H2,19,20).
What are the key properties of 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide?
2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide has a molecular weight of 291.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide is sourced from PubChem (CID 88783927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).