N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide

C20H26N2O3 — CID 2473891

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H26N2O3/c23-19(18-14-16-6-2-3-7-17(16)25-18)21-15-20(8-4-1-5-9-20)22-10-12-24-13-11-22/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,21,23)
InChIKeyOCDCXZBHRUOETK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.20
Rot. Bonds4

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 2473891) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID2473891
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H26N2O3/c23-19(18-14-16-6-2-3-7-17(16)25-18)21-15-20(8-4-1-5-9-20)22-10-12-24-13-11-22/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,21,23)
InChIKeyOCDCXZBHRUOETK-UHFFFAOYSA-N
XLogP3.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide (CID 2473891) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is OCDCXZBHRUOETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-19(18-14-16-6-2-3-7-17(16)25-18)21-15-20(8-4-1-5-9-20)22-10-12-24-13-11-22/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,21,23).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2473891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).