2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C20H28N2O2 — CID 124733045

IUPAC2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C20H28N2O2/c1-14-8-4-6-10-17(14)21-20(23)13-22(3)15(2)19-12-16-9-5-7-11-18(16)24-19/h5,7,9,11-12,14-15,17H,4,6,8,10,13H2,1-3H3,(H,21,23)/t14-,15-,17-/m1/s1
InChIKeyKEDBRAGCGPOSJY-BFYDXBDKSA-N
MW328.46 g/mol
LogP4.12
Rot. Bonds5

About 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 124733045) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID124733045
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C20H28N2O2/c1-14-8-4-6-10-17(14)21-20(23)13-22(3)15(2)19-12-16-9-5-7-11-18(16)24-19/h5,7,9,11-12,14-15,17H,4,6,8,10,13H2,1-3H3,(H,21,23)/t14-,15-,17-/m1/s1
InChIKeyKEDBRAGCGPOSJY-BFYDXBDKSA-N
XLogP4.12
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 124733045) is 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is KEDBRAGCGPOSJY-BFYDXBDKSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-8-4-6-10-17(14)21-20(23)13-22(3)15(2)19-12-16-9-5-7-11-18(16)24-19/h5,7,9,11-12,14-15,17H,4,6,8,10,13H2,1-3H3,(H,21,23)/t14-,15-,17-/m1/s1.
What are the key properties of 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 124733045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).