N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide

C13H23NO3 — CID 114631203

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)CC1CCCCO1
InChIInChI=1S/C13H23NO3/c1-13(2)10(8-11(13)15)14-12(16)7-9-5-3-4-6-17-9/h9-11,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyOFSLBXCTMWWELZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide (PubChem CID 114631203) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide
PubChem CID114631203
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)CC1CCCCO1
InChIInChI=1S/C13H23NO3/c1-13(2)10(8-11(13)15)14-12(16)7-9-5-3-4-6-17-9/h9-11,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyOFSLBXCTMWWELZ-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(oxan-2-ylmethylamino)cyclobutan-1-ol
CID 112633915
N-[(1R,2R)-2-aminocyclohexyl]-2-(oxan-2-yl)acetamide
CID 113265414
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-yl)acetamide;hydrochloride
CID 119521740
1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158596
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 129423695
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
N-[2-(methylamino)acetyl]-2-(oxolan-2-yl)acetamide
CID 56978091
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide (CID 114631203) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide is CC1(C)C(O)CC1NC(=O)CC1CCCCO1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide?
The InChIKey is OFSLBXCTMWWELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2)10(8-11(13)15)14-12(16)7-9-5-3-4-6-17-9/h9-11,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.22, 3 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-(oxan-2-yl)acetamide is sourced from PubChem (CID 114631203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).