N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide

C13H26N2O2 — CID 106148292

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)(CCCO)CNC(=O)CC1CCNC1
InChIInChI=1S/C13H26N2O2/c1-13(2,5-3-7-16)10-15-12(17)8-11-4-6-14-9-11/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyQUPHXKPHFMYGRO-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.90
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 106148292) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
PubChem CID106148292
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)(CCCO)CNC(=O)CC1CCNC1
InChIInChI=1S/C13H26N2O2/c1-13(2,5-3-7-16)10-15-12(17)8-11-4-6-14-9-11/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyQUPHXKPHFMYGRO-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106148182
2-(cyclopropylmethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148251
N-(5-amino-2,2-dimethylpentyl)-2-cyclopropylacetamide
CID 106140404
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
CID 103899551
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-3-ylacetamide
CID 106255561
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
CID 106096629
N,2,2-trimethyl-3-[(2-piperidin-4-ylacetyl)amino]propanamide
CID 106277030
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide (CID 106148292) is N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide is CC(C)(CCCO)CNC(=O)CC1CCNC1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is QUPHXKPHFMYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,5-3-7-16)10-15-12(17)8-11-4-6-14-9-11/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 242.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 106148292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).