2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide

C25H23N5O3 — CID 10160512

IUPAC2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc2cc(OCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C25H23N5O3/c1-2-3-7-22-24(20-6-4-5-8-21(20)33-22)25(31)26-18-11-9-17-14-19(12-10-16(17)13-18)32-15-23-27-29-30-28-23/h4-6,8-14H,2-3,7,15H2,1H3,(H,26,31)(H,27,28,29,30)
InChIKeyCHHIBXXWYZYSKK-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.27
Rot. Bonds8

About 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide

2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 10160512) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide
PubChem CID10160512
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc2cc(OCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C25H23N5O3/c1-2-3-7-22-24(20-6-4-5-8-21(20)33-22)25(31)26-18-11-9-17-14-19(12-10-16(17)13-18)32-15-23-27-29-30-28-23/h4-6,8-14H,2-3,7,15H2,1H3,(H,26,31)(H,27,28,29,30)
InChIKeyCHHIBXXWYZYSKK-UHFFFAOYSA-N
XLogP5.27
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate
CID 69137606
N-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-butyl-1-benzofuran-3-carboxamide
CID 10229771
2-butyl-N-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 10143235
methyl 2-[4-[4-[(2-butyl-1-benzofuran-3-carbonyl)amino]phenyl]phenoxy]acetate
CID 131727450
2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide
CID 167782612
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide
CID 167908945
(2-butyl-1-benzofuran-3-yl) N-[[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-N-butylcarbamate
CID 69138611
2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
CID 167847342
5-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-(2-butyl-1-benzofuran-3-yl)-1,3-oxazole
CID 11599173
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide (CID 10160512) is 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)Nc1ccc2cc(OCc3nn[nH]n3)ccc2c1.
What is the InChIKey of 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is CHHIBXXWYZYSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-2-3-7-22-24(20-6-4-5-8-21(20)33-22)25(31)26-18-11-9-17-14-19(12-10-16(17)13-18)32-15-23-27-29-30-28-23/h4-6,8-14H,2-3,7,15H2,1H3,(H,26,31)(H,27,28,29,30).
What are the key properties of 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide?
2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10160512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).