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

C26H40N2O2 — CID 57385673

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-3-19(2)26(29)27-22-9-7-20(8-10-22)11-15-28-16-12-21(13-17-28)23-5-4-6-25-24(23)14-18-30-25/h4-6,19-22H,3,7-18H2,1-2H3,(H,27,29)
InChIKeyZOJYMCBGKBJTGD-UHFFFAOYSA-N
MW412.62 g/mol
LogP4.91
Rot. Bonds7

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide (PubChem CID 57385673) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide
PubChem CID57385673
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-3-19(2)26(29)27-22-9-7-20(8-10-22)11-15-28-16-12-21(13-17-28)23-5-4-6-25-24(23)14-18-30-25/h4-6,19-22H,3,7-18H2,1-2H3,(H,27,29)
InChIKeyZOJYMCBGKBJTGD-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-2-methylbutanamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide (CID 57385673) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide is CCC(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide?
The InChIKey is ZOJYMCBGKBJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-3-19(2)26(29)27-22-9-7-20(8-10-22)11-15-28-16-12-21(13-17-28)23-5-4-6-25-24(23)14-18-30-25/h4-6,19-22H,3,7-18H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methylbutanamide has a molecular weight of 412.62 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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]-2-methylbutanamide is sourced from PubChem (CID 57385673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).