N-[2,6-di(propan-2-yl)phenyl]acetamide

C14H21NO — CID 519290

IUPACN-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)12-7-6-8-13(10(3)4)14(12)15-11(5)16/h6-10H,1-5H3,(H,15,16)
InChIKeyFBMIRBWQIPKRAB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.89
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]acetamide

N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 519290) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID519290
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)12-7-6-8-13(10(3)4)14(12)15-11(5)16/h6-10H,1-5H3,(H,15,16)
InChIKeyFBMIRBWQIPKRAB-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 519290) is N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is FBMIRBWQIPKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)12-7-6-8-13(10(3)4)14(12)15-11(5)16/h6-10H,1-5H3,(H,15,16).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 219.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 519290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).