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

C26H40N2O2 — CID 57385426

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-26(2,3)25(29)27-21-9-7-19(8-10-21)11-15-28-16-12-20(13-17-28)22-5-4-6-24-23(22)14-18-30-24/h4-6,19-21H,7-18H2,1-3H3,(H,27,29)
InChIKeyBFIOLCNMADQXRL-UHFFFAOYSA-N
MW412.62 g/mol
LogP4.91
Rot. Bonds5

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide (PubChem CID 57385426) 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]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide
PubChem CID57385426
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]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-26(2,3)25(29)27-21-9-7-19(8-10-21)11-15-28-16-12-20(13-17-28)22-5-4-6-24-23(22)14-18-30-24/h4-6,19-21H,7-18H2,1-3H3,(H,27,29)
InChIKeyBFIOLCNMADQXRL-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide (CID 57385426) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide is CC(C)(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]-2,2-dimethylpropanamide?
The InChIKey is BFIOLCNMADQXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-26(2,3)25(29)27-21-9-7-19(8-10-21)11-15-28-16-12-20(13-17-28)22-5-4-6-24-23(22)14-18-30-24/h4-6,19-21H,7-18H2,1-3H3,(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]-2,2-dimethylpropanamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 412.62 g/mol, XLogP of 4.91, 5 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 57385426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).