N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide

C26H33N3O5 — CID 31608138

IUPACN-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OCC
InChIInChI=1S/C26H33N3O5/c1-3-32-23-8-6-21(16-24(23)33-4-2)26(31)27-17-25(30)29-12-10-28(11-13-29)18-19-5-7-22-20(15-19)9-14-34-22/h5-8,15-16H,3-4,9-14,17-18H2,1-2H3,(H,27,31)
InChIKeyXDLBXDQZZLEEGH-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.49
Rot. Bonds9

About N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 31608138) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID31608138
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OCC
InChIInChI=1S/C26H33N3O5/c1-3-32-23-8-6-21(16-24(23)33-4-2)26(31)27-17-25(30)29-12-10-28(11-13-29)18-19-5-7-22-20(15-19)9-14-34-22/h5-8,15-16H,3-4,9-14,17-18H2,1-2H3,(H,27,31)
InChIKeyXDLBXDQZZLEEGH-UHFFFAOYSA-N
XLogP2.49
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 31607056
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
CID 86950625
N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24548040
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906302
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 31362194
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 56818085
4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 9105801
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 55650266
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8500150
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617256
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide (CID 31608138) is N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OCC.
What is the InChIKey of N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is XDLBXDQZZLEEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-3-32-23-8-6-21(16-24(23)33-4-2)26(31)27-17-25(30)29-12-10-28(11-13-29)18-19-5-7-22-20(15-19)9-14-34-22/h5-8,15-16H,3-4,9-14,17-18H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 467.57 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 31608138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).