N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

C15H21N5O — CID 860043

IUPACN-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(CCC(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C15H21N5O/c1-11-5-7-12(8-6-11)14-17-19-20(18-14)10-9-13(21)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,21)
InChIKeyNGIOOUGLBCSFHE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.95
Rot. Bonds4

About N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 860043) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID860043
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(CCC(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C15H21N5O/c1-11-5-7-12(8-6-11)14-17-19-20(18-14)10-9-13(21)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,21)
InChIKeyNGIOOUGLBCSFHE-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (CID 860043) is N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is Cc1ccc(-c2nnn(CCC(=O)NC(C)(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is NGIOOUGLBCSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-5-7-12(8-6-11)14-17-19-20(18-14)10-9-13(21)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,21).
What are the key properties of N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 287.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 860043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).