3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide

C21H28N2O — CID 109030939

IUPAC3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)19-10-12-20(13-11-19)23-21(24)14-16-22-15-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,22H,6,9,14-16H2,1-2H3,(H,23,24)
InChIKeyQPWACPCJEXCPSE-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.36
Rot. Bonds9

About 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide

3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109030939) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109030939
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)19-10-12-20(13-11-19)23-21(24)14-16-22-15-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,22H,6,9,14-16H2,1-2H3,(H,23,24)
InChIKeyQPWACPCJEXCPSE-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.36
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-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
CID 109030984
2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
CID 39716958
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(2-methylphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030922
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]butanoic acid
CID 43473710
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide (CID 109030939) is 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCNCCCc2ccccc2)cc1.
What is the InChIKey of 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is QPWACPCJEXCPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(2)19-10-12-20(13-11-19)23-21(24)14-16-22-15-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,22H,6,9,14-16H2,1-2H3,(H,23,24).
What are the key properties of 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide?
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109030939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).