N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide

C12H23NO3 — CID 103525804

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(C)(C)CO)CCC1
InChIInChI=1S/C12H23NO3/c1-11(2,9-14)8-13-10(15)7-12(16-3)5-4-6-12/h14H,4-9H2,1-3H3,(H,13,15)
InChIKeyFGZLRSAAGLEKKU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds6

About N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide

N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103525804) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103525804
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(C)(C)CO)CCC1
InChIInChI=1S/C12H23NO3/c1-11(2,9-14)8-13-10(15)7-12(16-3)5-4-6-12/h14H,4-9H2,1-3H3,(H,13,15)
InChIKeyFGZLRSAAGLEKKU-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103524806
N-(3,3-difluoro-2-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525099
N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103526984
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 109899225
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 109900350
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 109902637
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 109902772
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 109903070
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 109903631
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109905887
(3S)-3-hydroxy-N-[(3S)-3-hydroxybutyl]hexanamide
CID 87319697
2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide
CID 103517320

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide (CID 103525804) is N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC(C)(C)CO)CCC1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is FGZLRSAAGLEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,9-14)8-13-10(15)7-12(16-3)5-4-6-12/h14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide?
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 6 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-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103525804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).