N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide

C13H26N2O2 — CID 82941656

IUPACN-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
SMILESCCCOCCCNC(=O)CCC1CCNC1
InChIInChI=1S/C13H26N2O2/c1-2-9-17-10-3-7-15-13(16)5-4-12-6-8-14-11-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyKJYYYVLAJXZRKI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds9

About N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide

N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 82941656) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID82941656
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
SMILESCCCOCCCNC(=O)CCC1CCNC1
InChIInChI=1S/C13H26N2O2/c1-2-9-17-10-3-7-15-13(16)5-4-12-6-8-14-11-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyKJYYYVLAJXZRKI-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
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-piperidin-4-ylethyl)-3-propoxypropanamide
CID 62714933
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
3-(2-propoxyethyl)pyrrolidine
CID 114796170
N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
CID 115774837
2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
N-(3-cyclohexyloxypropyl)-3-piperidin-4-ylpropanamide
CID 62210078
N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
CID 114467819
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
3-(2-methoxyethoxy)-N-(2-piperidin-3-ylethyl)propanamide
CID 119558832

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide (CID 82941656) is N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide is CCCOCCCNC(=O)CCC1CCNC1.
What is the InChIKey of N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is KJYYYVLAJXZRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-9-17-10-3-7-15-13(16)5-4-12-6-8-14-11-12/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide?
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 82941656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).