2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide

C18H27NO2 — CID 138579571

IUPAC2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(C2CCOC2)cc(C(C)C)c1CC(N)=O
InChIInChI=1S/C18H27NO2/c1-11(2)15-7-14(13-5-6-21-10-13)8-16(12(3)4)17(15)9-18(19)20/h7-8,11-13H,5-6,9-10H2,1-4H3,(H2,19,20)
InChIKeyDULDZJXNRZPKEQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.47
Rot. Bonds5

About 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide

2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 138579571) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID138579571
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(C2CCOC2)cc(C(C)C)c1CC(N)=O
InChIInChI=1S/C18H27NO2/c1-11(2)15-7-14(13-5-6-21-10-13)8-16(12(3)4)17(15)9-18(19)20/h7-8,11-13H,5-6,9-10H2,1-4H3,(H2,19,20)
InChIKeyDULDZJXNRZPKEQ-UHFFFAOYSA-N
XLogP3.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(oxolan-3-yl)-2,6-di(propan-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-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide (CID 138579571) is 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(C2CCOC2)cc(C(C)C)c1CC(N)=O.
What is the InChIKey of 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is DULDZJXNRZPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-11(2)15-7-14(13-5-6-21-10-13)8-16(12(3)4)17(15)9-18(19)20/h7-8,11-13H,5-6,9-10H2,1-4H3,(H2,19,20).
What are the key properties of 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-yl)-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 138579571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).