N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide

C20H26N2O4 — CID 7540208

IUPACN-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O4/c1-13-18(20(24)21-14-4-2-3-5-14)19-15(12-22-8-10-25-11-9-22)16(23)6-7-17(19)26-13/h6-7,14,23H,2-5,8-12H2,1H3,(H,21,24)
InChIKeyJNICCNQEAQMESB-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.95
Rot. Bonds4

About N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide

N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 7540208) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID7540208
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O4/c1-13-18(20(24)21-14-4-2-3-5-14)19-15(12-22-8-10-25-11-9-22)16(23)6-7-17(19)26-13/h6-7,14,23H,2-5,8-12H2,1H3,(H,21,24)
InChIKeyJNICCNQEAQMESB-UHFFFAOYSA-N
XLogP2.95
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide (CID 7540208) is N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide is Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is JNICCNQEAQMESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-18(20(24)21-14-4-2-3-5-14)19-15(12-22-8-10-25-11-9-22)16(23)6-7-17(19)26-13/h6-7,14,23H,2-5,8-12H2,1H3,(H,21,24).
What are the key properties of N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 7540208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).