3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide

C13H26N2O2 — CID 119453788

IUPAC3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)CC(C)OCCC(=O)NC1CCNC1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-11(3)17-7-5-13(16)15-12-4-6-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyLDFYXQXSEXKITF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds7

About 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide

3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119453788) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
PubChem CID119453788
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)CC(C)OCCC(=O)NC1CCNC1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-11(3)17-7-5-13(16)15-12-4-6-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyLDFYXQXSEXKITF-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-3-propan-2-yloxypropanamide;hydrochloride
CID 119386638
3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464085
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450421
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide
CID 119454185
3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119514198
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide (CID 119453788) is 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide is CC(C)CC(C)OCCC(=O)NC1CCNC1.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is LDFYXQXSEXKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)8-11(3)17-7-5-13(16)15-12-4-6-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide?
3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119453788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).