N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide

C16H22N2O2 — CID 2994342

IUPACN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)17-14-8-5-13(6-9-14)7-10-16(20)18-11-3-4-12-18/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,17,19)
InChIKeyFNEAPTGMOMZHPM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.59
Rot. Bonds5

About N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide

N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide (PubChem CID 2994342) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
PubChem CID2994342
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)17-14-8-5-13(6-9-14)7-10-16(20)18-11-3-4-12-18/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,17,19)
InChIKeyFNEAPTGMOMZHPM-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide?
The IUPAC name of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide (CID 2994342) is N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide?
The canonical SMILES for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide is CCC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide?
The InChIKey is FNEAPTGMOMZHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-15(19)17-14-8-5-13(6-9-14)7-10-16(20)18-11-3-4-12-18/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide?
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide is sourced from PubChem (CID 2994342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).