3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one

C17H26N2O3 — CID 110901323

IUPAC3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one
SMILESCc1ccc(C(O)CNC(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-3-5-15(6-4-13)16(20)12-18-14(2)11-17(21)19-7-9-22-10-8-19/h3-6,14,16,18,20H,7-12H2,1-2H3
InChIKeyOTUNSGJWPHSTQD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds6

About 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one

3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one (PubChem CID 110901323) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one
PubChem CID110901323
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one
SMILESCc1ccc(C(O)CNC(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-3-5-15(6-4-13)16(20)12-18-14(2)11-17(21)19-7-9-22-10-8-19/h3-6,14,16,18,20H,7-12H2,1-2H3
InChIKeyOTUNSGJWPHSTQD-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one
CID 97323202
(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one
CID 9453394
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide
CID 59639297
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 112536125
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367721
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol
CID 95264989
N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111067391

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one (CID 110901323) is 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one is Cc1ccc(C(O)CNC(C)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is OTUNSGJWPHSTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-3-5-15(6-4-13)16(20)12-18-14(2)11-17(21)19-7-9-22-10-8-19/h3-6,14,16,18,20H,7-12H2,1-2H3.
What are the key properties of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one?
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 110901323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).