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

C24H29N3O3 — CID 78900189

IUPACN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3cc4cccc(OC)c4o3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-3-26-11-13-27(14-12-26)17-19-9-7-18(8-10-19)16-25-24(28)22-15-20-5-4-6-21(29-2)23(20)30-22/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,28)
InChIKeyRNXFPPRTNHEKHW-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.51
Rot. Bonds7

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

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 78900189) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID78900189
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3cc4cccc(OC)c4o3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-3-26-11-13-27(14-12-26)17-19-9-7-18(8-10-19)16-25-24(28)22-15-20-5-4-6-21(29-2)23(20)30-22/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,28)
InChIKeyRNXFPPRTNHEKHW-UHFFFAOYSA-N
XLogP3.51
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 55746600
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78865957
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122317401
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
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]methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 78900189) is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide is CCN1CCN(Cc2ccc(CNC(=O)c3cc4cccc(OC)c4o3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is RNXFPPRTNHEKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-26-11-13-27(14-12-26)17-19-9-7-18(8-10-19)16-25-24(28)22-15-20-5-4-6-21(29-2)23(20)30-22/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,28).
What are the key properties of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.51, 7 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]methyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78900189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).