N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide

C20H22N2O4 — CID 51283092

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCOCC2)o1
InChIInChI=1S/C20H22N2O4/c1-14-6-7-18(25-14)16(22-8-10-24-11-9-22)13-21-20(23)19-12-15-4-2-3-5-17(15)26-19/h2-7,12,16H,8-11,13H2,1H3,(H,21,23)
InChIKeyPCNHADIIIJNJLP-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 51283092) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
PubChem CID51283092
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCOCC2)o1
InChIInChI=1S/C20H22N2O4/c1-14-6-7-18(25-14)16(22-8-10-24-11-9-22)13-21-20(23)19-12-15-4-2-3-5-17(15)26-19/h2-7,12,16H,8-11,13H2,1H3,(H,21,23)
InChIKeyPCNHADIIIJNJLP-UHFFFAOYSA-N
XLogP3.14
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide (CID 51283092) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide is Cc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is PCNHADIIIJNJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-6-7-18(25-14)16(22-8-10-24-11-9-22)13-21-20(23)19-12-15-4-2-3-5-17(15)26-19/h2-7,12,16H,8-11,13H2,1H3,(H,21,23).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51283092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).