N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide

C13H25NO3 — CID 91662550

IUPACN-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide
SMILESCCOC1CC(O)(CNC(=O)C(C)C)C1(C)C
InChIInChI=1S/C13H25NO3/c1-6-17-10-7-13(16,12(10,4)5)8-14-11(15)9(2)3/h9-10,16H,6-8H2,1-5H3,(H,14,15)
InChIKeyJJSYXFHIVIBVOU-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.32
Rot. Bonds5

About N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide

N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide (PubChem CID 91662550) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide
PubChem CID91662550
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide
SMILESCCOC1CC(O)(CNC(=O)C(C)C)C1(C)C
InChIInChI=1S/C13H25NO3/c1-6-17-10-7-13(16,12(10,4)5)8-14-11(15)9(2)3/h9-10,16H,6-8H2,1-5H3,(H,14,15)
InChIKeyJJSYXFHIVIBVOU-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(1S,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2-fluoro-2-methylpropanamide
CID 100697804
N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2-fluoro-2-methylpropanamide
CID 100697815
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2-fluoro-2-methylpropanamide
CID 100697827
N-[[(1R,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-2-fluoro-2-methylpropanamide
CID 100697838
N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-fluoro-2-methylpropanamide
CID 121517561
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
N-(2-hydroxy-4,4-dimethylhexyl)propanamide
CID 140154644
N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide
CID 143719940
ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 143855420
N-(3-hydroxy-4-propan-2-yloxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide
CID 170417540
N-(4-ethyl-3-hydroxyoxolan-2-yl)-1-propan-2-ylcyclobutane-1-carboxamide
CID 170603649
N-[(3-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide
CID 172383509

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide (CID 91662550) is N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide is CCOC1CC(O)(CNC(=O)C(C)C)C1(C)C.
What is the InChIKey of N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide?
The InChIKey is JJSYXFHIVIBVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-17-10-7-13(16,12(10,4)5)8-14-11(15)9(2)3/h9-10,16H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide?
N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 91662550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).