N-[4-(tetrazol-1-yl)phenyl]hexanamide

C13H17N5O — CID 18083677

IUPACN-[4-(tetrazol-1-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-3-4-5-13(19)15-11-6-8-12(9-7-11)18-10-14-16-17-18/h6-10H,2-5H2,1H3,(H,15,19)
InChIKeyUXGCYTGGWZQCMT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds6

About N-[4-(tetrazol-1-yl)phenyl]hexanamide

N-[4-(tetrazol-1-yl)phenyl]hexanamide (PubChem CID 18083677) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]hexanamide
PubChem CID18083677
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-3-4-5-13(19)15-11-6-8-12(9-7-11)18-10-14-16-17-18/h6-10H,2-5H2,1H3,(H,15,19)
InChIKeyUXGCYTGGWZQCMT-UHFFFAOYSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24555376
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-(4-acetamidophenyl)hexanamide
CID 4953736
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]hexanamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]hexanamide (CID 18083677) is N-[4-(tetrazol-1-yl)phenyl]hexanamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]hexanamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]hexanamide?
The InChIKey is UXGCYTGGWZQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-3-4-5-13(19)15-11-6-8-12(9-7-11)18-10-14-16-17-18/h6-10H,2-5H2,1H3,(H,15,19).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]hexanamide?
N-[4-(tetrazol-1-yl)phenyl]hexanamide has a molecular weight of 259.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]hexanamide is sourced from PubChem (CID 18083677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).