N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide

C26H28N2O3 — CID 3605495

IUPACN-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
SMILESCC(C)C(=O)N1CCc2oc(-c3cccc(NC(=O)CCc4ccccc4)c3)cc2C1
InChIInChI=1S/C26H28N2O3/c1-18(2)26(30)28-14-13-23-21(17-28)16-24(31-23)20-9-6-10-22(15-20)27-25(29)12-11-19-7-4-3-5-8-19/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,29)
InChIKeyJLHLIQLCHRMGFJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.06
Rot. Bonds6

About N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide

N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide (PubChem CID 3605495) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
PubChem CID3605495
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
SMILESCC(C)C(=O)N1CCc2oc(-c3cccc(NC(=O)CCc4ccccc4)c3)cc2C1
InChIInChI=1S/C26H28N2O3/c1-18(2)26(30)28-14-13-23-21(17-28)16-24(31-23)20-9-6-10-22(15-20)27-25(29)12-11-19-7-4-3-5-8-19/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,29)
InChIKeyJLHLIQLCHRMGFJ-UHFFFAOYSA-N
XLogP5.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide (CID 3605495) is N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide is CC(C)C(=O)N1CCc2oc(-c3cccc(NC(=O)CCc4ccccc4)c3)cc2C1.
What is the InChIKey of N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
The InChIKey is JLHLIQLCHRMGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(2)26(30)28-14-13-23-21(17-28)16-24(31-23)20-9-6-10-22(15-20)27-25(29)12-11-19-7-4-3-5-8-19/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,29).
What are the key properties of N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide has a molecular weight of 416.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 3605495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).