N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide

C10H19N5O — CID 23540473

IUPACN-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)N(C(=O)Cc1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C10H19N5O/c1-7(2)15(10(3,4)5)9(16)6-8-11-13-14-12-8/h7H,6H2,1-5H3,(H,11,12,13,14)
InChIKeyZEBHBQJTQKUXHE-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.78
Rot. Bonds3

About N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide

N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 23540473) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID23540473
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)N(C(=O)Cc1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C10H19N5O/c1-7(2)15(10(3,4)5)9(16)6-8-11-13-14-12-8/h7H,6H2,1-5H3,(H,11,12,13,14)
InChIKeyZEBHBQJTQKUXHE-UHFFFAOYSA-N
XLogP0.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide (CID 23540473) is N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide is CC(C)N(C(=O)Cc1nn[nH]n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is ZEBHBQJTQKUXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(2)15(10(3,4)5)9(16)6-8-11-13-14-12-8/h7H,6H2,1-5H3,(H,11,12,13,14).
What are the key properties of N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 225.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 23540473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).