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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Related Compounds

3-cyclopropyl-2-methylbutan-2-ol;ethane;N-[4-[3-ethyl-2-(2-methylpropanoyl)phenyl]-2-methylphenyl]-N-methylpropanamide
CID 163382229
1-[4-(3-ethyl-2-fluorophenyl)-2,6-difluorophenyl]-2-methylpropan-1-one
CID 176577739
1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one
CID 163382521
2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
CID 82107017
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
1-(2,6-diethylphenyl)ethanone
CID 14939611
N-[2-fluoro-4-[5-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[4-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]phenyl]phenyl]propanamide;N-methyl-N-[2-methyl-4-[5-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-2-pyridinyl]phenyl]propanamide;N-methyl-N-[2-methyl-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167616106
4-(2,6-diethylphenyl)-2-methylphenol
CID 154385947
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62500171
N-[3-bromo-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
CID 126588910
N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
CID 129049186
N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-methylpropanamide
CID 129039032

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).