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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(furan-2-yl)-N-(1-hydroxycyclopropyl)-N-[[2-[5-(2H-tetrazol-5-yl)pentoxy]phenyl]methyl]benzamide
CID 145060443
6-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;N-(2-deuteriopropan-2-yl)-4-(furan-2-yl)-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;7-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;6-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;N-[dideuterio-[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]-4-(furan-2-yl)-N-propan-2-ylbenzamide
CID 159226681
6-[2-[[[4-(furan-2-yl)benzoyl]-(trideuteriomethyl)amino]methyl]-4-methoxyphenoxy]hexanoic acid
CID 121270366
2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propyl]cyclopropane-1-carboxylic acid
CID 121269401
6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid
CID 158321251
(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-2-methylhex-2-enoic acid
CID 121269406
ethane;ethyl 2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propylsulfanyl]acetate
CID 145061898
4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide
CID 145060930
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
6-[2-[[cyclopentyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 86281299
N-[dideuterio(phenyl)methyl]-4-(furan-2-yl)-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]benzamide
CID 121270600
N-cyclopropyl-N-[dideuterio-[2-[5-(2-methyl-5-oxo-1H-pyrazol-3-yl)pentoxy]phenyl]methyl]-4-(furan-2-yl)benzamide
CID 121270807

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).