N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C20H17NO4 — CID 99809958

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCc3cc4ccccc4o3)oc12
InChIInChI=1S/C20H17NO4/c1-23-17-8-4-6-14-12-18(25-19(14)17)20(22)21-10-9-15-11-13-5-2-3-7-16(13)24-15/h2-8,11-12H,9-10H2,1H3,(H,21,22)
InChIKeyYZAYMGNCDCIFDQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 99809958) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID99809958
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCc3cc4ccccc4o3)oc12
InChIInChI=1S/C20H17NO4/c1-23-17-8-4-6-14-12-18(25-19(14)17)20(22)21-10-9-15-11-13-5-2-3-7-16(13)24-15/h2-8,11-12H,9-10H2,1H3,(H,21,22)
InChIKeyYZAYMGNCDCIFDQ-UHFFFAOYSA-N
XLogP4.16
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78865957
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
CID 56764219
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375
7-methoxy-N-[2-(oxan-4-ylsulfanyl)ethyl]-1-benzofuran-2-carboxamide
CID 86265197

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 99809958) is N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCCc3cc4ccccc4o3)oc12.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is YZAYMGNCDCIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-23-17-8-4-6-14-12-18(25-19(14)17)20(22)21-10-9-15-11-13-5-2-3-7-16(13)24-15/h2-8,11-12H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 99809958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).