N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide

C17H25NO3 — CID 114630480

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C17H25NO3/c1-11(2)12-6-5-7-13(8-12)21-10-16(20)18-14-9-15(19)17(14,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyCCHQCWITTQPZPS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.46
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 114630480) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID114630480
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C17H25NO3/c1-11(2)12-6-5-7-13(8-12)21-10-16(20)18-14-9-15(19)17(14,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyCCHQCWITTQPZPS-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
CID 114630870
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 120556407
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide (CID 114630480) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OCC(=O)NC2CC(O)C2(C)C)c1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is CCHQCWITTQPZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)12-6-5-7-13(8-12)21-10-16(20)18-14-9-15(19)17(14,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 114630480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).