2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide

C31H42N2O3 — CID 19064704

IUPAC2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc2occ(C3CCN(CCCCC)CC3)c2c1
InChIInChI=1S/C31H42N2O3/c1-3-5-7-11-21-35-29-13-9-8-12-26(29)31(34)32-25-14-15-30-27(22-25)28(23-36-30)24-16-19-33(20-17-24)18-10-6-4-2/h8-9,12-15,22-24H,3-7,10-11,16-21H2,1-2H3,(H,32,34)
InChIKeyJOVXVWRBIDCNOY-UHFFFAOYSA-N
MW490.69 g/mol
LogP8.01
Rot. Bonds13

About 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide

2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide (PubChem CID 19064704) has the molecular formula C31H42N2O3 and a molecular weight of 490.69 g/mol. Its IUPAC name is 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
PubChem CID19064704
Molecular FormulaC31H42N2O3
Molecular Weight490.69 g/mol
Exact Mass490.32
IUPAC Name2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc2occ(C3CCN(CCCCC)CC3)c2c1
InChIInChI=1S/C31H42N2O3/c1-3-5-7-11-21-35-29-13-9-8-12-26(29)31(34)32-25-14-15-30-27(22-25)28(23-36-30)24-16-19-33(20-17-24)18-10-6-4-2/h8-9,12-15,22-24H,3-7,10-11,16-21H2,1-2H3,(H,32,34)
InChIKeyJOVXVWRBIDCNOY-UHFFFAOYSA-N
XLogP8.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
CID 19064672
butyl 2-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoylamino]benzoate
CID 19064548
1-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]-3-phenylurea;2-phenylpropanoic acid
CID 67667885
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide
CID 19064626
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
N-[3-(1-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-methylsulfonylbenzamide
CID 19064706
N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
CID 17199073
2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167542
N-[4-(1-aminoethyl)phenyl]-2-dodecoxybenzamide
CID 139738647
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide?
The IUPAC name of 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide (CID 19064704) is 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide?
The canonical SMILES for 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc2occ(C3CCN(CCCCC)CC3)c2c1.
What is the InChIKey of 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide?
The InChIKey is JOVXVWRBIDCNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O3/c1-3-5-7-11-21-35-29-13-9-8-12-26(29)31(34)32-25-14-15-30-27(22-25)28(23-36-30)24-16-19-33(20-17-24)18-10-6-4-2/h8-9,12-15,22-24H,3-7,10-11,16-21H2,1-2H3,(H,32,34).
What are the key properties of 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide?
2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide has a molecular weight of 490.69 g/mol, XLogP of 8.01, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide is sourced from PubChem (CID 19064704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).