N,N,2-tri(propan-2-yl)benzamide

C16H25NO — CID 14972593

IUPACN,N,2-tri(propan-2-yl)benzamide
SMILESCC(C)c1ccccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H25NO/c1-11(2)14-9-7-8-10-15(14)16(18)17(12(3)4)13(5)6/h7-13H,1-6H3
InChIKeyYAGPYKVDLVGZDI-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.07
Rot. Bonds4

About N,N,2-tri(propan-2-yl)benzamide

N,N,2-tri(propan-2-yl)benzamide (PubChem CID 14972593) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,N,2-tri(propan-2-yl)benzamide.

Molecular Properties

Compound NameN,N,2-tri(propan-2-yl)benzamide
PubChem CID14972593
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,N,2-tri(propan-2-yl)benzamide
SMILESCC(C)c1ccccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H25NO/c1-11(2)14-9-7-8-10-15(14)16(18)17(12(3)4)13(5)6/h7-13H,1-6H3
InChIKeyYAGPYKVDLVGZDI-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2-tri(propan-2-yl)benzamide?
The IUPAC name of N,N,2-tri(propan-2-yl)benzamide (CID 14972593) is N,N,2-tri(propan-2-yl)benzamide.
What is the SMILES notation for N,N,2-tri(propan-2-yl)benzamide?
The canonical SMILES for N,N,2-tri(propan-2-yl)benzamide is CC(C)c1ccccc1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N,2-tri(propan-2-yl)benzamide?
The InChIKey is YAGPYKVDLVGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)14-9-7-8-10-15(14)16(18)17(12(3)4)13(5)6/h7-13H,1-6H3.
What are the key properties of N,N,2-tri(propan-2-yl)benzamide?
N,N,2-tri(propan-2-yl)benzamide has a molecular weight of 247.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-tri(propan-2-yl)benzamide is sourced from PubChem (CID 14972593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).