N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

C23H27N3O4+2 — CID 6969250

IUPACN-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESCOc1ccc2oc(C(=O)c3ccccc3)c(NC(=O)C[NH+]3CC[NH+](C)CC3)c2c1
InChIInChI=1S/C23H25N3O4/c1-25-10-12-26(13-11-25)15-20(27)24-21-18-14-17(29-2)8-9-19(18)30-23(21)22(28)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)/p+2
InChIKeyHBINQTBNNVDNMI-UHFFFAOYSA-P
MW409.49 g/mol
LogP0.02
Rot. Bonds6

About N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 6969250) has the molecular formula C23H27N3O4+2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID6969250
Molecular FormulaC23H27N3O4+2
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESCOc1ccc2oc(C(=O)c3ccccc3)c(NC(=O)C[NH+]3CC[NH+](C)CC3)c2c1
InChIInChI=1S/C23H25N3O4/c1-25-10-12-26(13-11-25)15-20(27)24-21-18-14-17(29-2)8-9-19(18)30-23(21)22(28)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)/p+2
InChIKeyHBINQTBNNVDNMI-UHFFFAOYSA-P
XLogP0.02
TPSA77.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide with MolForge

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Related Compounds

N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide
CID 4207497
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate
CID 134238319
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
CID 44579692
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860891
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
5-methoxy-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8969278
(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (CID 6969250) is N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is COc1ccc2oc(C(=O)c3ccccc3)c(NC(=O)C[NH+]3CC[NH+](C)CC3)c2c1.
What is the InChIKey of N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is HBINQTBNNVDNMI-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H25N3O4/c1-25-10-12-26(13-11-25)15-20(27)24-21-18-14-17(29-2)8-9-19(18)30-23(21)22(28)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)/p+2.
What are the key properties of N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 6969250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).