4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one

C16H24N2O3 — CID 81194547

IUPAC4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one
SMILESCC1COC(CO)CN1C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12-11-21-14(10-19)9-18(12)16(20)8-7-15(17)13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11,17H2,1H3
InChIKeyCZQRSFCBANESIR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.07
Rot. Bonds5

About 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one

4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one (PubChem CID 81194547) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one
PubChem CID81194547
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one
SMILESCC1COC(CO)CN1C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12-11-21-14(10-19)9-18(12)16(20)8-7-15(17)13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11,17H2,1H3
InChIKeyCZQRSFCBANESIR-UHFFFAOYSA-N
XLogP1.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81196288
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 106312554
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one
CID 97250598
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
2-(2,3-dichlorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741603

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one (CID 81194547) is 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one is CC1COC(CO)CN1C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one?
The InChIKey is CZQRSFCBANESIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-11-21-14(10-19)9-18(12)16(20)8-7-15(17)13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11,17H2,1H3.
What are the key properties of 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one?
4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 81194547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).