N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide

C15H21N5O2 — CID 22167298

IUPACN-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)CN(C(=O)n1nnn(-c2ccccc2)c1=O)C(C)C
InChIInChI=1S/C15H21N5O2/c1-11(2)10-18(12(3)4)14(21)20-15(22)19(16-17-20)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyXUKNBRMOAQCAEQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.76
Rot. Bonds4

About N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide

N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 22167298) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide
PubChem CID22167298
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)CN(C(=O)n1nnn(-c2ccccc2)c1=O)C(C)C
InChIInChI=1S/C15H21N5O2/c1-11(2)10-18(12(3)4)14(21)20-15(22)19(16-17-20)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyXUKNBRMOAQCAEQ-UHFFFAOYSA-N
XLogP1.76
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide (CID 22167298) is N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide is CC(C)CN(C(=O)n1nnn(-c2ccccc2)c1=O)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is XUKNBRMOAQCAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11(2)10-18(12(3)4)14(21)20-15(22)19(16-17-20)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide?
N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 22167298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).