N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide

C12H23NO3 — CID 103021218

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2,16-5)7-10(15)13-8-6-9(14)12(8,3)4/h8-9,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyHCQATURFQHKWGB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide (PubChem CID 103021218) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide
PubChem CID103021218
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2,16-5)7-10(15)13-8-6-9(14)12(8,3)4/h8-9,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyHCQATURFQHKWGB-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
CID 114628859
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316
3-methoxy-3-methyl-N-(3-methylcyclopentyl)butanamide
CID 103021030
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629789
3-(ethylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629835
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114629647
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
CID 114630472
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide
CID 114631203
3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629719
2-(butan-2-ylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629653

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide (CID 103021218) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide?
The InChIKey is HCQATURFQHKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,16-5)7-10(15)13-8-6-9(14)12(8,3)4/h8-9,14H,6-7H2,1-5H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 4 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)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).