2-(2,3,4,5,6-pentamethylphenyl)propanamide

C14H21NO — CID 20672729

IUPAC2-(2,3,4,5,6-pentamethylphenyl)propanamide
SMILESCc1c(C)c(C)c(C(C)C(N)=O)c(C)c1C
InChIInChI=1S/C14H21NO/c1-7-8(2)10(4)13(11(5)9(7)3)12(6)14(15)16/h12H,1-6H3,(H2,15,16)
InChIKeyLFXHXPLZWIGVOY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds2

About 2-(2,3,4,5,6-pentamethylphenyl)propanamide

2-(2,3,4,5,6-pentamethylphenyl)propanamide (PubChem CID 20672729) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentamethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentamethylphenyl)propanamide
PubChem CID20672729
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2,3,4,5,6-pentamethylphenyl)propanamide
SMILESCc1c(C)c(C)c(C(C)C(N)=O)c(C)c1C
InChIInChI=1S/C14H21NO/c1-7-8(2)10(4)13(11(5)9(7)3)12(6)14(15)16/h12H,1-6H3,(H2,15,16)
InChIKeyLFXHXPLZWIGVOY-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentamethylphenyl)propanamide?
The IUPAC name of 2-(2,3,4,5,6-pentamethylphenyl)propanamide (CID 20672729) is 2-(2,3,4,5,6-pentamethylphenyl)propanamide.
What is the SMILES notation for 2-(2,3,4,5,6-pentamethylphenyl)propanamide?
The canonical SMILES for 2-(2,3,4,5,6-pentamethylphenyl)propanamide is Cc1c(C)c(C)c(C(C)C(N)=O)c(C)c1C.
What is the InChIKey of 2-(2,3,4,5,6-pentamethylphenyl)propanamide?
The InChIKey is LFXHXPLZWIGVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-7-8(2)10(4)13(11(5)9(7)3)12(6)14(15)16/h12H,1-6H3,(H2,15,16).
What are the key properties of 2-(2,3,4,5,6-pentamethylphenyl)propanamide?
2-(2,3,4,5,6-pentamethylphenyl)propanamide has a molecular weight of 219.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentamethylphenyl)propanamide is sourced from PubChem (CID 20672729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).