N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide

C24H29N5O2 — CID 7489574

IUPACN-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C24H29N5O2/c1-4-5-6-7-23(31)25-21-14-12-19(13-15-21)22(30)16-29-27-24(26-28-29)20-10-8-18(9-11-20)17(2)3/h8-15,17H,4-7,16H2,1-3H3,(H,25,31)
InChIKeyJIZKMNVGCKWWPT-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.87
Rot. Bonds10

About N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide

N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide (PubChem CID 7489574) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide
PubChem CID7489574
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C24H29N5O2/c1-4-5-6-7-23(31)25-21-14-12-19(13-15-21)22(30)16-29-27-24(26-28-29)20-10-8-18(9-11-20)17(2)3/h8-15,17H,4-7,16H2,1-3H3,(H,25,31)
InChIKeyJIZKMNVGCKWWPT-UHFFFAOYSA-N
XLogP4.87
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.87
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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Related Compounds

N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
CID 51173918
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 9355936
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489486
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489729
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide
CID 46608299
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide?
The IUPAC name of N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide (CID 7489574) is N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide?
The InChIKey is JIZKMNVGCKWWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-4-5-6-7-23(31)25-21-14-12-19(13-15-21)22(30)16-29-27-24(26-28-29)20-10-8-18(9-11-20)17(2)3/h8-15,17H,4-7,16H2,1-3H3,(H,25,31).
What are the key properties of N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide?
N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide has a molecular weight of 419.53 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide is sourced from PubChem (CID 7489574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).