N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide

C12H24N2O2 — CID 21041195

IUPACN-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NC(C)C1(O)CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-6-11(15)14-10(2)12(16)7-8-13-9-12/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyGBJIOESJSJWJAU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds6

About N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide

N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide (PubChem CID 21041195) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide
PubChem CID21041195
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NC(C)C1(O)CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-6-11(15)14-10(2)12(16)7-8-13-9-12/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyGBJIOESJSJWJAU-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide?
The IUPAC name of N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide (CID 21041195) is N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide.
What is the SMILES notation for N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide?
The canonical SMILES for N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide is CCCCCC(=O)NC(C)C1(O)CCNC1.
What is the InChIKey of N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide?
The InChIKey is GBJIOESJSJWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-5-6-11(15)14-10(2)12(16)7-8-13-9-12/h10,13,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide?
N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide is sourced from PubChem (CID 21041195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).