N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide

C9H17NO2 — CID 131043860

IUPACN-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1CC(O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)10(3)7-4-8(11)5-7/h6-8,11H,4-5H2,1-3H3
InChIKeyCHUYOHPHQLTMIB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.62
Rot. Bonds2

About N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide

N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide (PubChem CID 131043860) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide
PubChem CID131043860
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1CC(O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)10(3)7-4-8(11)5-7/h6-8,11H,4-5H2,1-3H3
InChIKeyCHUYOHPHQLTMIB-UHFFFAOYSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(3-hydroxycyclobutyl)-N-methylpropanamide
CID 126991101
N-(2-adamantyl)-N,2-dimethylpropanamide
CID 60751626
N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 97306496
N-[(2R,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 97306498
N-cyclopropyl-2-[(3-hydroxycyclobutyl)-methylamino]propanamide
CID 136530890
N-cyclohexyl-N,2-dimethylpropanamide;ethane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159813706
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide
CID 129290550
(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 163312810
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107022355
4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495905
(2S)-2-hydroxy-N-methyl-N-(oxetan-3-yl)propanamide
CID 167208808

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide (CID 131043860) is N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C1CC(O)C1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide?
The InChIKey is CHUYOHPHQLTMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9(12)10(3)7-4-8(11)5-7/h6-8,11H,4-5H2,1-3H3.
What are the key properties of N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide?
N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 131043860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).