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

C25H23N5O4 — CID 69137606

IUPAC(2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate
SMILESCCCCc1oc2ccccc2c1OC(=O)Nc1ccc2cc(OCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C25H23N5O4/c1-2-3-7-22-24(20-6-4-5-8-21(20)33-22)34-25(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)
InChIKeyGSDHWVYXKUFZBB-UHFFFAOYSA-N
MW457.49 g/mol
LogP5.63
Rot. Bonds8

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

(2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate (PubChem CID 69137606) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate.

Molecular Properties

Compound Name(2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate
PubChem CID69137606
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name(2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate
SMILESCCCCc1oc2ccccc2c1OC(=O)Nc1ccc2cc(OCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C25H23N5O4/c1-2-3-7-22-24(20-6-4-5-8-21(20)33-22)34-25(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)
InChIKeyGSDHWVYXKUFZBB-UHFFFAOYSA-N
XLogP5.63
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide
CID 10160512
N-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-butyl-1-benzofuran-3-carboxamide
CID 10229771
(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-[[5-phenyl-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 10143235
3-hexyl-4-methyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one
CID 4282773
methyl 2-[4-[4-[(2-butyl-1-benzofuran-3-carbonyl)amino]phenyl]phenoxy]acetate
CID 131727450
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
CID 5147603
ethyl 3-[4-methyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate
CID 666172
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole
CID 70283586

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate?
The IUPAC name of (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate (CID 69137606) is (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate.
What is the SMILES notation for (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate?
The canonical SMILES for (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate is CCCCc1oc2ccccc2c1OC(=O)Nc1ccc2cc(OCc3nn[nH]n3)ccc2c1.
What is the InChIKey of (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate?
The InChIKey is GSDHWVYXKUFZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-2-3-7-22-24(20-6-4-5-8-21(20)33-22)34-25(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-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate?
(2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate has a molecular weight of 457.49 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-benzofuran-3-yl) N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]carbamate is sourced from PubChem (CID 69137606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).