N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide

C16H23N5O — CID 51229398

IUPACN-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCCCCCNC(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H23N5O/c1-2-3-4-8-11-17-16(22)15(21-13-18-19-20-21)12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,2-4,8,11-12H2,1H3,(H,17,22)
InChIKeyVGSHPDCJQSFPSY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.15
Rot. Bonds9

About N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide

N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51229398) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51229398
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCCCCCNC(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H23N5O/c1-2-3-4-8-11-17-16(22)15(21-13-18-19-20-21)12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,2-4,8,11-12H2,1H3,(H,17,22)
InChIKeyVGSHPDCJQSFPSY-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide 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

(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51260416
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134026262
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51054807
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500
(2R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052008
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 124860255
(2S)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052009
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51229398) is N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide is CCCCCCNC(=O)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is VGSHPDCJQSFPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-2-3-4-8-11-17-16(22)15(21-13-18-19-20-21)12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,2-4,8,11-12H2,1H3,(H,17,22).
What are the key properties of N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51229398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).