(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one

C17H26N2O4 — CID 9453394

IUPAC(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one
SMILESC[C@H](CC(=O)N1CCOCC1)N[C@H](C)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O4/c1-12(11-16(21)19-7-9-23-10-8-19)18-13(2)17(22)14-3-5-15(20)6-4-14/h3-6,12-13,17-18,20,22H,7-11H2,1-2H3/t12-,13-,17+/m1/s1
InChIKeyZVHPHSYDFMZOHV-XNJGSVPQSA-N
MW322.40 g/mol
LogP1.04
Rot. Bonds6

About (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one

(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one (PubChem CID 9453394) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one
PubChem CID9453394
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one
SMILESC[C@H](CC(=O)N1CCOCC1)N[C@H](C)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O4/c1-12(11-16(21)19-7-9-23-10-8-19)18-13(2)17(22)14-3-5-15(20)6-4-14/h3-6,12-13,17-18,20,22H,7-11H2,1-2H3/t12-,13-,17+/m1/s1
InChIKeyZVHPHSYDFMZOHV-XNJGSVPQSA-N
XLogP1.04
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one with MolForge

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Related Compounds

3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one
CID 110901323
(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one
CID 97323202
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
[3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 69460233
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-1-morpholin-4-ylethanone
CID 78818405
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one (CID 9453394) is (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one is C[C@H](CC(=O)N1CCOCC1)N[C@H](C)[C@H](O)c1ccc(O)cc1.
What is the InChIKey of (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is ZVHPHSYDFMZOHV-XNJGSVPQSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(11-16(21)19-7-9-23-10-8-19)18-13(2)17(22)14-3-5-15(20)6-4-14/h3-6,12-13,17-18,20,22H,7-11H2,1-2H3/t12-,13-,17+/m1/s1.
What are the key properties of (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one?
(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 322.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 9453394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).