4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide

C24H25N5O3 — CID 121270177

IUPAC4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])N(Cc1ccccc1OCCCCc1nn[nH]n1)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C24H25N5O3/c1-29(24(30)19-13-11-18(12-14-19)21-9-6-16-32-21)17-20-7-2-3-8-22(20)31-15-5-4-10-23-25-27-28-26-23/h2-3,6-9,11-14,16H,4-5,10,15,17H2,1H3,(H,25,26,27,28)/i1D3
InChIKeyBAYVLLMVYFELAD-FIBGUPNXSA-N
MW434.51 g/mol
LogP4.13
Rot. Bonds11

About 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide

4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide (PubChem CID 121270177) has the molecular formula C24H25N5O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide
PubChem CID121270177
Molecular FormulaC24H25N5O3
Molecular Weight434.51 g/mol
Exact Mass434.21
IUPAC Name4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])N(Cc1ccccc1OCCCCc1nn[nH]n1)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C24H25N5O3/c1-29(24(30)19-13-11-18(12-14-19)21-9-6-16-32-21)17-20-7-2-3-8-22(20)31-15-5-4-10-23-25-27-28-26-23/h2-3,6-9,11-14,16H,4-5,10,15,17H2,1H3,(H,25,26,27,28)/i1D3
InChIKeyBAYVLLMVYFELAD-FIBGUPNXSA-N
XLogP4.13
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide?
The IUPAC name of 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide (CID 121270177) is 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide?
The canonical SMILES for 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide is [2H]C([2H])([2H])N(Cc1ccccc1OCCCCc1nn[nH]n1)C(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide?
The InChIKey is BAYVLLMVYFELAD-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-29(24(30)19-13-11-18(12-14-19)21-9-6-16-32-21)17-20-7-2-3-8-22(20)31-15-5-4-10-23-25-27-28-26-23/h2-3,6-9,11-14,16H,4-5,10,15,17H2,1H3,(H,25,26,27,28)/i1D3.
What are the key properties of 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide?
4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide has a molecular weight of 434.51 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-N-(trideuteriomethyl)benzamide is sourced from PubChem (CID 121270177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).