N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide

C20H25NO — CID 19221393

IUPACN-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H25NO/c1-14(2)18-11-8-17(9-12-18)10-13-20(22)21-19-7-5-6-15(3)16(19)4/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22)
InChIKeyFWTMCUBBINUOLQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.00
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide

N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 19221393) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
PubChem CID19221393
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H25NO/c1-14(2)18-11-8-17(9-12-18)10-13-20(22)21-19-7-5-6-15(3)16(19)4/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22)
InChIKeyFWTMCUBBINUOLQ-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N,N'-bis(2,3-dimethylphenyl)butanediamide
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N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
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N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
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N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide (CID 19221393) is N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide is Cc1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is FWTMCUBBINUOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14(2)18-11-8-17(9-12-18)10-13-20(22)21-19-7-5-6-15(3)16(19)4/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide?
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 295.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 19221393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).