5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide

C22H27N5O2 — CID 21045743

IUPAC5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)Nc3nn[nH]n3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H27N5O2/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)12-14(13)11-15-6-7-18(29-15)19(28)23-20-24-26-27-25-20/h6-7,10,12H,8-9,11H2,1-5H3,(H2,23,24,25,26,27,28)
InChIKeyFWDCEBPVLWKSMK-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.29
Rot. Bonds4

About 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide

5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide (PubChem CID 21045743) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide
PubChem CID21045743
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)Nc3nn[nH]n3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H27N5O2/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)12-14(13)11-15-6-7-18(29-15)19(28)23-20-24-26-27-25-20/h6-7,10,12H,8-9,11H2,1-5H3,(H2,23,24,25,26,27,28)
InChIKeyFWDCEBPVLWKSMK-UHFFFAOYSA-N
XLogP4.29
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide (CID 21045743) is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)Nc3nn[nH]n3)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide?
The InChIKey is FWDCEBPVLWKSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)12-14(13)11-15-6-7-18(29-15)19(28)23-20-24-26-27-25-20/h6-7,10,12H,8-9,11H2,1-5H3,(H2,23,24,25,26,27,28).
What are the key properties of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide?
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 21045743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).