3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide

C20H26N2O — CID 109019987

IUPAC3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1ccc(CNCCC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-8-10-19(11-9-18)22-20(23)12-13-21-14-17-6-4-16(3)5-7-17/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyKPPZROXWHCCCEQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.24
Rot. Bonds7

About 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide

3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109019987) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109019987
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1ccc(CNCCC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-8-10-19(11-9-18)22-20(23)12-13-21-14-17-6-4-16(3)5-7-17/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyKPPZROXWHCCCEQ-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.24
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

N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109020057
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
methyl 4-[3-[(4-chlorophenyl)methylamino]propanoylamino]benzoate
CID 109021898
N,3-bis(4-methylphenyl)propanamide
CID 19220434

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide (CID 109019987) is 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide is Cc1ccc(CNCCC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is KPPZROXWHCCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)18-8-10-19(11-9-18)22-20(23)12-13-21-14-17-6-4-16(3)5-7-17/h4-11,15,21H,12-14H2,1-3H3,(H,22,23).
What are the key properties of 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide?
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109019987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).