N-pentyl-2-pyrrolidin-3-yloxypropanamide

C12H24N2O2 — CID 62327735

IUPACN-pentyl-2-pyrrolidin-3-yloxypropanamide
SMILESCCCCCNC(=O)C(C)OC1CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-7-14-12(15)10(2)16-11-6-8-13-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyHOCXSEZDBUDBGT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds7

About N-pentyl-2-pyrrolidin-3-yloxypropanamide

N-pentyl-2-pyrrolidin-3-yloxypropanamide (PubChem CID 62327735) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-pentyl-2-pyrrolidin-3-yloxypropanamide.

Molecular Properties

Compound NameN-pentyl-2-pyrrolidin-3-yloxypropanamide
PubChem CID62327735
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-pentyl-2-pyrrolidin-3-yloxypropanamide
SMILESCCCCCNC(=O)C(C)OC1CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-7-14-12(15)10(2)16-11-6-8-13-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyHOCXSEZDBUDBGT-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
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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Related Compounds

N-(2-methoxyethyl)-2-pyrrolidin-3-yloxypropanamide
CID 62327217
2-[(3S)-piperidin-3-yl]oxy-N-propylpropanamide
CID 66245011
N-pentan-2-yl-2-pyrrolidin-3-yloxypropanamide
CID 62328076
2-pyrrolidin-3-yloxypropanamide
CID 62327738
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide
CID 63106262
N-butan-2-yl-2-piperidin-3-yloxypropanamide
CID 43117602
N-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanamide
CID 102930304
piperidin-3-yl N-butylcarbamate
CID 68747208
[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-pyrrolidin-3-yloxypropanamide?
The IUPAC name of N-pentyl-2-pyrrolidin-3-yloxypropanamide (CID 62327735) is N-pentyl-2-pyrrolidin-3-yloxypropanamide.
What is the SMILES notation for N-pentyl-2-pyrrolidin-3-yloxypropanamide?
The canonical SMILES for N-pentyl-2-pyrrolidin-3-yloxypropanamide is CCCCCNC(=O)C(C)OC1CCNC1.
What is the InChIKey of N-pentyl-2-pyrrolidin-3-yloxypropanamide?
The InChIKey is HOCXSEZDBUDBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-5-7-14-12(15)10(2)16-11-6-8-13-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-pentyl-2-pyrrolidin-3-yloxypropanamide?
N-pentyl-2-pyrrolidin-3-yloxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-pyrrolidin-3-yloxypropanamide is sourced from PubChem (CID 62327735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).