2,4-bis(2-methylbutan-2-yl)benzamide

C17H27NO — CID 91508673

IUPAC2,4-bis(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)c1ccc(C(N)=O)c(C(C)(C)CC)c1
InChIInChI=1S/C17H27NO/c1-7-16(3,4)12-9-10-13(15(18)19)14(11-12)17(5,6)8-2/h9-11H,7-8H2,1-6H3,(H2,18,19)
InChIKeyYWXWICFYEBIYBM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.16
Rot. Bonds5

About 2,4-bis(2-methylbutan-2-yl)benzamide

2,4-bis(2-methylbutan-2-yl)benzamide (PubChem CID 91508673) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,4-bis(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-bis(2-methylbutan-2-yl)benzamide
PubChem CID91508673
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,4-bis(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)c1ccc(C(N)=O)c(C(C)(C)CC)c1
InChIInChI=1S/C17H27NO/c1-7-16(3,4)12-9-10-13(15(18)19)14(11-12)17(5,6)8-2/h9-11H,7-8H2,1-6H3,(H2,18,19)
InChIKeyYWXWICFYEBIYBM-UHFFFAOYSA-N
XLogP4.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methylbutan-2-yl)benzamide?
The IUPAC name of 2,4-bis(2-methylbutan-2-yl)benzamide (CID 91508673) is 2,4-bis(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2,4-bis(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2,4-bis(2-methylbutan-2-yl)benzamide is CCC(C)(C)c1ccc(C(N)=O)c(C(C)(C)CC)c1.
What is the InChIKey of 2,4-bis(2-methylbutan-2-yl)benzamide?
The InChIKey is YWXWICFYEBIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-16(3,4)12-9-10-13(15(18)19)14(11-12)17(5,6)8-2/h9-11H,7-8H2,1-6H3,(H2,18,19).
What are the key properties of 2,4-bis(2-methylbutan-2-yl)benzamide?
2,4-bis(2-methylbutan-2-yl)benzamide has a molecular weight of 261.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 91508673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).