4-phenyl-N-[2-(propylamino)ethyl]butanamide

C15H24N2O — CID 62659370

IUPAC4-phenyl-N-[2-(propylamino)ethyl]butanamide
SMILESCCCNCCNC(=O)CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-2-11-16-12-13-17-15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,2,6,9-13H2,1H3,(H,17,18)
InChIKeyJEXVROMWOQEXDJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.13
Rot. Bonds9

About 4-phenyl-N-[2-(propylamino)ethyl]butanamide

4-phenyl-N-[2-(propylamino)ethyl]butanamide (PubChem CID 62659370) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-phenyl-N-[2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(propylamino)ethyl]butanamide
PubChem CID62659370
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-phenyl-N-[2-(propylamino)ethyl]butanamide
SMILESCCCNCCNC(=O)CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-2-11-16-12-13-17-15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,2,6,9-13H2,1H3,(H,17,18)
InChIKeyJEXVROMWOQEXDJ-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.13
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

4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(3-hydroxypropylamino)ethyl]-4-phenylbutanamide;propane-2-thiol
CID 145090132
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(propylamino)ethyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(propylamino)ethyl]butanamide (CID 62659370) is 4-phenyl-N-[2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(propylamino)ethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(propylamino)ethyl]butanamide is CCCNCCNC(=O)CCCc1ccccc1.
What is the InChIKey of 4-phenyl-N-[2-(propylamino)ethyl]butanamide?
The InChIKey is JEXVROMWOQEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-11-16-12-13-17-15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,2,6,9-13H2,1H3,(H,17,18).
What are the key properties of 4-phenyl-N-[2-(propylamino)ethyl]butanamide?
4-phenyl-N-[2-(propylamino)ethyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 62659370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).