N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide

C32H44N2O3 — CID 57386718

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NC2CCC(CCN3CCC(c4cccc5c4CCO5)CC3)CC2)cc1
InChIInChI=1S/C32H44N2O3/c1-32(2,3)37-27-13-9-25(10-14-27)31(35)33-26-11-7-23(8-12-26)15-19-34-20-16-24(17-21-34)28-5-4-6-30-29(28)18-22-36-30/h4-6,9-10,13-14,23-24,26H,7-8,11-12,15-22H2,1-3H3,(H,33,35)
InChIKeyXKUSJISCOLOOOS-UHFFFAOYSA-N
MW504.72 g/mol
LogP6.36
Rot. Bonds7

About N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 57386718) has the molecular formula C32H44N2O3 and a molecular weight of 504.72 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID57386718
Molecular FormulaC32H44N2O3
Molecular Weight504.72 g/mol
Exact Mass504.34
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NC2CCC(CCN3CCC(c4cccc5c4CCO5)CC3)CC2)cc1
InChIInChI=1S/C32H44N2O3/c1-32(2,3)37-27-13-9-25(10-14-27)31(35)33-26-11-7-23(8-12-26)15-19-34-20-16-24(17-21-34)28-5-4-6-30-29(28)18-22-36-30/h4-6,9-10,13-14,23-24,26H,7-8,11-12,15-22H2,1-3H3,(H,33,35)
InChIKeyXKUSJISCOLOOOS-UHFFFAOYSA-N
XLogP6.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 57386718) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)Oc1ccc(C(=O)NC2CCC(CCN3CCC(c4cccc5c4CCO5)CC3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is XKUSJISCOLOOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O3/c1-32(2,3)37-27-13-9-25(10-14-27)31(35)33-26-11-7-23(8-12-26)15-19-34-20-16-24(17-21-34)28-5-4-6-30-29(28)18-22-36-30/h4-6,9-10,13-14,23-24,26H,7-8,11-12,15-22H2,1-3H3,(H,33,35).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 504.72 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 57386718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).