N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide

C17H24N2O3 — CID 6734075

IUPACN-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C17H24N2O3/c20-16(15-5-2-1-3-6-15)7-8-17(21)18-9-4-10-19-11-13-22-14-12-19/h1-3,5-6H,4,7-14H2,(H,18,21)
InChIKeyMUJKSIWMKOKTBL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.49
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide

N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide (PubChem CID 6734075) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
PubChem CID6734075
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C17H24N2O3/c20-16(15-5-2-1-3-6-15)7-8-17(21)18-9-4-10-19-11-13-22-14-12-19/h1-3,5-6H,4,7-14H2,(H,18,21)
InChIKeyMUJKSIWMKOKTBL-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
4-(2,3-dihydro-1H-inden-5-yl)-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51176726
tert-butyl 4-[3-[(4-oxo-4-phenylbutanoyl)amino]propyl]piperazine-1-carboxylate
CID 55866663
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154
4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 84557544
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(3-morpholin-4-ylpropyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide;2,2,2-trifluoroacetic acid
CID 21108435
N-(3-morpholin-4-ylpropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55347239
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide (CID 6734075) is N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide?
The InChIKey is MUJKSIWMKOKTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(15-5-2-1-3-6-15)7-8-17(21)18-9-4-10-19-11-13-22-14-12-19/h1-3,5-6H,4,7-14H2,(H,18,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide?
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 6734075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).