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

C26H28N2O4 — CID 42785019

IUPACN-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide
SMILESCC(C)C(=O)N1CCc2oc(-c3ccc(NC(=O)COCc4ccccc4)cc3)cc2C1
InChIInChI=1S/C26H28N2O4/c1-18(2)26(30)28-13-12-23-21(15-28)14-24(32-23)20-8-10-22(11-9-20)27-25(29)17-31-16-19-6-4-3-5-7-19/h3-11,14,18H,12-13,15-17H2,1-2H3,(H,27,29)
InChIKeyCWIQVGBJRZGJMC-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.64
Rot. Bonds7

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

N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide (PubChem CID 42785019) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide
PubChem CID42785019
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide
SMILESCC(C)C(=O)N1CCc2oc(-c3ccc(NC(=O)COCc4ccccc4)cc3)cc2C1
InChIInChI=1S/C26H28N2O4/c1-18(2)26(30)28-13-12-23-21(15-28)14-24(32-23)20-8-10-22(11-9-20)27-25(29)17-31-16-19-6-4-3-5-7-19/h3-11,14,18H,12-13,15-17H2,1-2H3,(H,27,29)
InChIKeyCWIQVGBJRZGJMC-UHFFFAOYSA-N
XLogP4.64
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide (CID 42785019) is N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide is CC(C)C(=O)N1CCc2oc(-c3ccc(NC(=O)COCc4ccccc4)cc3)cc2C1.
What is the InChIKey of N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide?
The InChIKey is CWIQVGBJRZGJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(2)26(30)28-13-12-23-21(15-28)14-24(32-23)20-8-10-22(11-9-20)27-25(29)17-31-16-19-6-4-3-5-7-19/h3-11,14,18H,12-13,15-17H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide?
N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide has a molecular weight of 432.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 42785019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).