3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide

C16H24N2O2 — CID 119450421

IUPAC3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)c1ccc(OCCC(=O)NC2CCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)13-3-5-15(6-4-13)20-10-8-16(19)18-14-7-9-17-11-14/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyMKPHQRICPJKIRA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds6

About 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide

3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119450421) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide
PubChem CID119450421
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)c1ccc(OCCC(=O)NC2CCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)13-3-5-15(6-4-13)20-10-8-16(19)18-14-7-9-17-11-14/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyMKPHQRICPJKIRA-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide (CID 119450421) is 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide is CC(C)c1ccc(OCCC(=O)NC2CCNC2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is MKPHQRICPJKIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)13-3-5-15(6-4-13)20-10-8-16(19)18-14-7-9-17-11-14/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide?
3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119450421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).