N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide

C16H24N2O2 — CID 653056

IUPACN-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C16H24N2O2/c19-16(8-7-15-5-2-1-3-6-15)17-9-4-10-18-11-13-20-14-12-18/h1-3,5-6H,4,7-14H2,(H,17,19)
InChIKeyIISQEYHCUDYZNG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.46
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide

N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide (PubChem CID 653056) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
PubChem CID653056
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C16H24N2O2/c19-16(8-7-15-5-2-1-3-6-15)17-9-4-10-18-11-13-20-14-12-18/h1-3,5-6H,4,7-14H2,(H,17,19)
InChIKeyIISQEYHCUDYZNG-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide (CID 653056) is N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The InChIKey is IISQEYHCUDYZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16(8-7-15-5-2-1-3-6-15)17-9-4-10-18-11-13-20-14-12-18/h1-3,5-6H,4,7-14H2,(H,17,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 653056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).