N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide

C23H27N3O3 — CID 78900619

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-3-25-11-13-26(14-12-25)16-17-7-9-19(10-8-17)24-23(27)21-15-18-5-4-6-20(28-2)22(18)29-21/h4-10,15H,3,11-14,16H2,1-2H3,(H,24,27)
InChIKeyLFBGPCSLLDFNQA-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.83
Rot. Bonds6

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 78900619) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID78900619
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-3-25-11-13-26(14-12-25)16-17-7-9-19(10-8-17)24-23(27)21-15-18-5-4-6-20(28-2)22(18)29-21/h4-10,15H,3,11-14,16H2,1-2H3,(H,24,27)
InChIKeyLFBGPCSLLDFNQA-UHFFFAOYSA-N
XLogP3.83
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55664628
7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 100530050
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 78900619) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is LFBGPCSLLDFNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-25-11-13-26(14-12-25)16-17-7-9-19(10-8-17)24-23(27)21-15-18-5-4-6-20(28-2)22(18)29-21/h4-10,15H,3,11-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78900619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).