N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide

C21H28N2O — CID 109024299

IUPACN-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCNCCc1ccccc1
InChIInChI=1S/C21H28N2O/c1-16(2)19-11-7-8-17(3)21(19)23-20(24)13-15-22-14-12-18-9-5-4-6-10-18/h4-11,16,22H,12-15H2,1-3H3,(H,23,24)
InChIKeyFNOJBXHQAYJVCP-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.28
Rot. Bonds8

About N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide

N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide (PubChem CID 109024299) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
PubChem CID109024299
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCNCCc1ccccc1
InChIInChI=1S/C21H28N2O/c1-16(2)19-11-7-8-17(3)21(19)23-20(24)13-15-22-14-12-18-9-5-4-6-10-18/h4-11,16,22H,12-15H2,1-3H3,(H,23,24)
InChIKeyFNOJBXHQAYJVCP-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.28
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-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109019326
N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
CID 108951208
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109021544
3-(4-benzylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109026983
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
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide (CID 109024299) is N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide is Cc1cccc(C(C)C)c1NC(=O)CCNCCc1ccccc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide?
The InChIKey is FNOJBXHQAYJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(2)19-11-7-8-17(3)21(19)23-20(24)13-15-22-14-12-18-9-5-4-6-10-18/h4-11,16,22H,12-15H2,1-3H3,(H,23,24).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide?
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide is sourced from PubChem (CID 109024299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).