N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide

C15H20N6O2 — CID 39342713

IUPACN-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide
SMILESCC(C)NC(=O)N(C(=O)c1cccc(-n2cnnn2)c1)C(C)C
InChIInChI=1S/C15H20N6O2/c1-10(2)17-15(23)21(11(3)4)14(22)12-6-5-7-13(8-12)20-9-16-18-19-20/h5-11H,1-4H3,(H,17,23)
InChIKeyBXABOJFWDCXAGI-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.63
Rot. Bonds4

About N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide

N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 39342713) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide
PubChem CID39342713
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide
SMILESCC(C)NC(=O)N(C(=O)c1cccc(-n2cnnn2)c1)C(C)C
InChIInChI=1S/C15H20N6O2/c1-10(2)17-15(23)21(11(3)4)14(22)12-6-5-7-13(8-12)20-9-16-18-19-20/h5-11H,1-4H3,(H,17,23)
InChIKeyBXABOJFWDCXAGI-UHFFFAOYSA-N
XLogP1.63
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide (CID 39342713) is N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide is CC(C)NC(=O)N(C(=O)c1cccc(-n2cnnn2)c1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is BXABOJFWDCXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(2)17-15(23)21(11(3)4)14(22)12-6-5-7-13(8-12)20-9-16-18-19-20/h5-11H,1-4H3,(H,17,23).
What are the key properties of N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide?
N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 316.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39342713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).