2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one

C16H24N2O2 — CID 82100038

IUPAC2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
SMILESCC(NCCCN1CCOCC1)C(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-14(16(19)15-6-3-2-4-7-15)17-8-5-9-18-10-12-20-13-11-18/h2-4,6-7,14,17H,5,8-13H2,1H3
InChIKeyBXONKLVSVPVKQO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds7

About 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one

2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one (PubChem CID 82100038) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
PubChem CID82100038
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
SMILESCC(NCCCN1CCOCC1)C(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-14(16(19)15-6-3-2-4-7-15)17-8-5-9-18-10-12-20-13-11-18/h2-4,6-7,14,17H,5,8-13H2,1H3
InChIKeyBXONKLVSVPVKQO-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
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

1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
CID 43236665
1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one
CID 82258130
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
N-(3-morpholin-4-ylpropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51162206
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
CID 82100086

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one (CID 82100038) is 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one is CC(NCCCN1CCOCC1)C(=O)c1ccccc1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one?
The InChIKey is BXONKLVSVPVKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14(16(19)15-6-3-2-4-7-15)17-8-5-9-18-10-12-20-13-11-18/h2-4,6-7,14,17H,5,8-13H2,1H3.
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one?
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 82100038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).