3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one

C16H24N2O3 — CID 115901497

IUPAC3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(NCCC(=O)N1CCOCC1)c1ccccc1O
InChIInChI=1S/C16H24N2O3/c1-2-14(13-5-3-4-6-15(13)19)17-8-7-16(20)18-9-11-21-12-10-18/h3-6,14,17,19H,2,7-12H2,1H3
InChIKeyRNKRNMIXFWOZKZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds6

About 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one

3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115901497) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115901497
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(NCCC(=O)N1CCOCC1)c1ccccc1O
InChIInChI=1S/C16H24N2O3/c1-2-14(13-5-3-4-6-15(13)19)17-8-7-16(20)18-9-11-21-12-10-18/h3-6,14,17,19H,2,7-12H2,1H3
InChIKeyRNKRNMIXFWOZKZ-UHFFFAOYSA-N
XLogP1.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 61021836
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
CID 112696580
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one (CID 115901497) is 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one is CCC(NCCC(=O)N1CCOCC1)c1ccccc1O.
What is the InChIKey of 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RNKRNMIXFWOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-14(13-5-3-4-6-15(13)19)17-8-7-16(20)18-9-11-21-12-10-18/h3-6,14,17,19H,2,7-12H2,1H3.
What are the key properties of 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115901497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).