N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide

C23H29NO2 — CID 163382230

IUPACN-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2cccc(CC)c2C(=O)C(C)C)cc1C
InChIInChI=1S/C23H29NO2/c1-7-17-10-9-11-19(22(17)23(26)15(3)4)18-12-13-20(16(5)14-18)24(6)21(25)8-2/h9-15H,7-8H2,1-6H3
InChIKeyBEVUJZAGEXYMMO-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.44
Rot. Bonds6

About N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide

N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide (PubChem CID 163382230) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide
PubChem CID163382230
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2cccc(CC)c2C(=O)C(C)C)cc1C
InChIInChI=1S/C23H29NO2/c1-7-17-10-9-11-19(22(17)23(26)15(3)4)18-12-13-20(16(5)14-18)24(6)21(25)8-2/h9-15H,7-8H2,1-6H3
InChIKeyBEVUJZAGEXYMMO-UHFFFAOYSA-N
XLogP5.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide (CID 163382230) is N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2cccc(CC)c2C(=O)C(C)C)cc1C.
What is the InChIKey of N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
The InChIKey is BEVUJZAGEXYMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-7-17-10-9-11-19(22(17)23(26)15(3)4)18-12-13-20(16(5)14-18)24(6)21(25)8-2/h9-15H,7-8H2,1-6H3.
What are the key properties of N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide?
N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide is sourced from PubChem (CID 163382230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).