N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide

C28H34FN3O4 — CID 20925820

IUPACN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H34FN3O4/c1-3-35-18-6-15-31(2)22-13-16-32(17-14-22)28(34)27-26(23-7-4-5-8-24(23)36-27)30-25(33)19-20-9-11-21(29)12-10-20/h4-5,7-12,22H,3,6,13-19H2,1-2H3,(H,30,33)
InChIKeyOMXJFUOCLDBLMA-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.72
Rot. Bonds10

About N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide

N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 20925820) has the molecular formula C28H34FN3O4 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID20925820
Molecular FormulaC28H34FN3O4
Molecular Weight495.60 g/mol
Exact Mass495.25
IUPAC NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H34FN3O4/c1-3-35-18-6-15-31(2)22-13-16-32(17-14-22)28(34)27-26(23-7-4-5-8-24(23)36-27)30-25(33)19-20-9-11-21(29)12-10-20/h4-5,7-12,22H,3,6,13-19H2,1-2H3,(H,30,33)
InChIKeyOMXJFUOCLDBLMA-UHFFFAOYSA-N
XLogP4.72
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide
CID 20925789
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide
CID 20925775
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925897
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535200
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925927
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925721
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide (CID 20925820) is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide is CCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is OMXJFUOCLDBLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O4/c1-3-35-18-6-15-31(2)22-13-16-32(17-14-22)28(34)27-26(23-7-4-5-8-24(23)36-27)30-25(33)19-20-9-11-21(29)12-10-20/h4-5,7-12,22H,3,6,13-19H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide?
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 495.60 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 20925820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).