3-(2-phenylethylamino)-N,N-dipropylpropanamide

C17H28N2O — CID 109024274

IUPAC3-(2-phenylethylamino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-14-19(15-4-2)17(20)11-13-18-12-10-16-8-6-5-7-9-16/h5-9,18H,3-4,10-15H2,1-2H3
InChIKeyZLBIRFTVARYUIW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.86
Rot. Bonds10

About 3-(2-phenylethylamino)-N,N-dipropylpropanamide

3-(2-phenylethylamino)-N,N-dipropylpropanamide (PubChem CID 109024274) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(2-phenylethylamino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(2-phenylethylamino)-N,N-dipropylpropanamide
PubChem CID109024274
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(2-phenylethylamino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-14-19(15-4-2)17(20)11-13-18-12-10-16-8-6-5-7-9-16/h5-9,18H,3-4,10-15H2,1-2H3
InChIKeyZLBIRFTVARYUIW-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(benzylamino)-N,N-dipropylpropanamide
CID 109018966
3-[benzyl-[3-(2-phenylethylamino)propanoyl]amino]propanoic acid
CID 10814125
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-bromoethyl)-4-phenyl-N-propylbutanamide
CID 80660803
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019631
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
N,N-dihexyl-3-phenylpropanamide
CID 532921
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylamino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(2-phenylethylamino)-N,N-dipropylpropanamide (CID 109024274) is 3-(2-phenylethylamino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(2-phenylethylamino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(2-phenylethylamino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCNCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylamino)-N,N-dipropylpropanamide?
The InChIKey is ZLBIRFTVARYUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-14-19(15-4-2)17(20)11-13-18-12-10-16-8-6-5-7-9-16/h5-9,18H,3-4,10-15H2,1-2H3.
What are the key properties of 3-(2-phenylethylamino)-N,N-dipropylpropanamide?
3-(2-phenylethylamino)-N,N-dipropylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylamino)-N,N-dipropylpropanamide is sourced from PubChem (CID 109024274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).