N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C22H26N2O3 — CID 118779766

IUPACN-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(Cc1cccnc1)C1CCCCC1)C(=O)CCC2
InChIInChI=1S/C22H26N2O3/c1-15-20(21-18(25)10-5-11-19(21)27-15)22(26)24(17-8-3-2-4-9-17)14-16-7-6-12-23-13-16/h6-7,12-13,17H,2-5,8-11,14H2,1H3
InChIKeyNZNHETLJFCJYTM-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.48
Rot. Bonds4

About N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 118779766) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID118779766
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(Cc1cccnc1)C1CCCCC1)C(=O)CCC2
InChIInChI=1S/C22H26N2O3/c1-15-20(21-18(25)10-5-11-19(21)27-15)22(26)24(17-8-3-2-4-9-17)14-16-7-6-12-23-13-16/h6-7,12-13,17H,2-5,8-11,14H2,1H3
InChIKeyNZNHETLJFCJYTM-UHFFFAOYSA-N
XLogP4.48
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 118779766) is N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)N(Cc1cccnc1)C1CCCCC1)C(=O)CCC2.
What is the InChIKey of N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is NZNHETLJFCJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-20(21-18(25)10-5-11-19(21)27-15)22(26)24(17-8-3-2-4-9-17)14-16-7-6-12-23-13-16/h6-7,12-13,17H,2-5,8-11,14H2,1H3.
What are the key properties of N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118779766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).