3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C21H28N2O — CID 109019326

IUPAC3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H28N2O/c1-15(2)19-11-7-9-17(4)21(19)23-20(24)12-13-22-14-18-10-6-5-8-16(18)3/h5-11,15,22H,12-14H2,1-4H3,(H,23,24)
InChIKeyKIJBMJQCYIBNDV-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.55
Rot. Bonds7

About 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 109019326) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID109019326
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H28N2O/c1-15(2)19-11-7-9-17(4)21(19)23-20(24)12-13-22-14-18-10-6-5-8-16(18)3/h5-11,15,22H,12-14H2,1-4H3,(H,23,24)
InChIKeyKIJBMJQCYIBNDV-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109021544
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024299
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
methyl 2-[[3-(2-methyl-6-propan-2-ylanilino)-3-oxopropyl]amino]benzoate
CID 109037172
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 109019326) is 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1ccccc1CNCCC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is KIJBMJQCYIBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-15(2)19-11-7-9-17(4)21(19)23-20(24)12-13-22-14-18-10-6-5-8-16(18)3/h5-11,15,22H,12-14H2,1-4H3,(H,23,24).
What are the key properties of 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109019326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).