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

C13H26N2O2 — CID 21041196

IUPACN-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NC(C)C1(OC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-5-6-7-12(16)15-11(2)13(17-3)8-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyWPTUGNBZSZSXNO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds7

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

N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide (PubChem CID 21041196) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide
PubChem CID21041196
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NC(C)C1(OC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-5-6-7-12(16)15-11(2)13(17-3)8-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyWPTUGNBZSZSXNO-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide?
The IUPAC name of N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide (CID 21041196) is N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide.
What is the SMILES notation for N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide?
The canonical SMILES for N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide is CCCCCC(=O)NC(C)C1(OC)CCNC1.
What is the InChIKey of N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide?
The InChIKey is WPTUGNBZSZSXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-6-7-12(16)15-11(2)13(17-3)8-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide?
N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide is sourced from PubChem (CID 21041196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).