N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide

C11H22N2O3 — CID 106247356

IUPACN-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
SMILESCOCC(O)CCNC(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3/c1-16-8-10(14)4-6-13-11(15)7-9-3-2-5-12-9/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyBEXNNUVVDFOXST-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.36
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide

N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 106247356) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
PubChem CID106247356
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
SMILESCOCC(O)CCNC(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3/c1-16-8-10(14)4-6-13-11(15)7-9-3-2-5-12-9/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyBEXNNUVVDFOXST-UHFFFAOYSA-N
XLogP-0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
CID 106247580
2-cyclobutyl-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877418
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119693624
N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
CID 115740896
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912
N-(2-cyclohexyloxyethyl)-2-pyrrolidin-2-ylacetamide
CID 63826362
4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793829

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide (CID 106247356) is N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide is COCC(O)CCNC(=O)CC1CCCN1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is BEXNNUVVDFOXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-16-8-10(14)4-6-13-11(15)7-9-3-2-5-12-9/h9-10,12,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide?
N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 230.31 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 106247356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).