4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide

C24H29N5O3 — CID 14884523

IUPAC4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide
SMILESCCCCCCCCOc1ccc(C(=O)Nc2cccc3c2OC(c2nn[nH]n2)C3)cc1
InChIInChI=1S/C24H29N5O3/c1-2-3-4-5-6-7-15-31-19-13-11-17(12-14-19)24(30)25-20-10-8-9-18-16-21(32-22(18)20)23-26-28-29-27-23/h8-14,21H,2-7,15-16H2,1H3,(H,25,30)(H,26,27,28,29)
InChIKeyQCWQKQYIZQJIIM-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.87
Rot. Bonds11

About 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide

4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide (PubChem CID 14884523) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide.

Molecular Properties

Compound Name4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide
PubChem CID14884523
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide
SMILESCCCCCCCCOc1ccc(C(=O)Nc2cccc3c2OC(c2nn[nH]n2)C3)cc1
InChIInChI=1S/C24H29N5O3/c1-2-3-4-5-6-7-15-31-19-13-11-17(12-14-19)24(30)25-20-10-8-9-18-16-21(32-22(18)20)23-26-28-29-27-23/h8-14,21H,2-7,15-16H2,1H3,(H,25,30)(H,26,27,28,29)
InChIKeyQCWQKQYIZQJIIM-UHFFFAOYSA-N
XLogP4.87
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-dec-2-enoxy]-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
CID 15087031
[4-[[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]carbamoyl]phenyl] oct-2-enoate
CID 54538408
4-[(E)-pent-1-enoxy]-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
CID 18795847
N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 11372797
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
3-chloro-4-[(E)-oct-1-enoxy]-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
CID 70460243
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
4-(4-phenylbutoxy)-N-[2-(2H-tetrazol-5-yl)-3,4-dihydro-1,2-benzoxazin-8-yl]benzamide
CID 19387973
methyl 3-[(4-hexoxybenzoyl)amino]-2-hydroxybenzoate
CID 108768094

Frequently Asked Questions

What is the IUPAC name of 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide?
The IUPAC name of 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide (CID 14884523) is 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide.
What is the SMILES notation for 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide?
The canonical SMILES for 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide is CCCCCCCCOc1ccc(C(=O)Nc2cccc3c2OC(c2nn[nH]n2)C3)cc1.
What is the InChIKey of 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide?
The InChIKey is QCWQKQYIZQJIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-2-3-4-5-6-7-15-31-19-13-11-17(12-14-19)24(30)25-20-10-8-9-18-16-21(32-22(18)20)23-26-28-29-27-23/h8-14,21H,2-7,15-16H2,1H3,(H,25,30)(H,26,27,28,29).
What are the key properties of 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide?
4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide has a molecular weight of 435.53 g/mol, XLogP of 4.87, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxy-N-[2-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzofuran-7-yl]benzamide is sourced from PubChem (CID 14884523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).