N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide

C16H22N2O2 — CID 136575983

IUPACN-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
SMILESC=CC(CC(=O)NC1CNCC1OC)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-12(13-7-5-4-6-8-13)9-16(19)18-14-10-17-11-15(14)20-2/h3-8,12,14-15,17H,1,9-11H2,2H3,(H,18,19)
InChIKeyMYZKKPLDCIWCRH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.45
Rot. Bonds6

About N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide

N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide (PubChem CID 136575983) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide.

Molecular Properties

Compound NameN-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
PubChem CID136575983
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
SMILESC=CC(CC(=O)NC1CNCC1OC)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-12(13-7-5-4-6-8-13)9-16(19)18-14-10-17-11-15(14)20-2/h3-8,12,14-15,17H,1,9-11H2,2H3,(H,18,19)
InChIKeyMYZKKPLDCIWCRH-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide?
The IUPAC name of N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide (CID 136575983) is N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide.
What is the SMILES notation for N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide?
The canonical SMILES for N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide is C=CC(CC(=O)NC1CNCC1OC)c1ccccc1.
What is the InChIKey of N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide?
The InChIKey is MYZKKPLDCIWCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12(13-7-5-4-6-8-13)9-16(19)18-14-10-17-11-15(14)20-2/h3-8,12,14-15,17H,1,9-11H2,2H3,(H,18,19).
What are the key properties of N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide?
N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide has a molecular weight of 274.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide is sourced from PubChem (CID 136575983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).