N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C17H17NO5 — CID 110899118

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCC(O)c3ccco3)c2c1
InChIInChI=1S/C17H17NO5/c1-10-16(12-8-11(21-2)5-6-14(12)23-10)17(20)18-9-13(19)15-4-3-7-22-15/h3-8,13,19H,9H2,1-2H3,(H,18,20)
InChIKeyNDCLGILGQITGPN-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 110899118) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID110899118
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCC(O)c3ccco3)c2c1
InChIInChI=1S/C17H17NO5/c1-10-16(12-8-11(21-2)5-6-14(12)23-10)17(20)18-9-13(19)15-4-3-7-22-15/h3-8,13,19H,9H2,1-2H3,(H,18,20)
InChIKeyNDCLGILGQITGPN-UHFFFAOYSA-N
XLogP2.81
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
CID 55789548
5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 87017070
N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55793954
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 110899118) is N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)NCC(O)c3ccco3)c2c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is NDCLGILGQITGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-10-16(12-8-11(21-2)5-6-14(12)23-10)17(20)18-9-13(19)15-4-3-7-22-15/h3-8,13,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 110899118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).