2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide

C19H30N2O3 — CID 110001912

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
SMILESCC1CN(C(C(=O)N[C@H](CO)c2ccccc2)C(C)C)CC(C)O1
InChIInChI=1S/C19H30N2O3/c1-13(2)18(21-10-14(3)24-15(4)11-21)19(23)20-17(12-22)16-8-6-5-7-9-16/h5-9,13-15,17-18,22H,10-12H2,1-4H3,(H,20,23)/t14?,15?,17-,18?/m1/s1
InChIKeyYGGTZVHIVUPESP-SZBXFDNESA-N
MW334.46 g/mol
LogP1.97
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide

2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide (PubChem CID 110001912) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
PubChem CID110001912
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
SMILESCC1CN(C(C(=O)N[C@H](CO)c2ccccc2)C(C)C)CC(C)O1
InChIInChI=1S/C19H30N2O3/c1-13(2)18(21-10-14(3)24-15(4)11-21)19(23)20-17(12-22)16-8-6-5-7-9-16/h5-9,13-15,17-18,22H,10-12H2,1-4H3,(H,20,23)/t14?,15?,17-,18?/m1/s1
InChIKeyYGGTZVHIVUPESP-SZBXFDNESA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
CID 119348720
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63182703
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 99819793
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
CID 100842753
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]butanamide
CID 94822505
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide (CID 110001912) is 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide is CC1CN(C(C(=O)N[C@H](CO)c2ccccc2)C(C)C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide?
The InChIKey is YGGTZVHIVUPESP-SZBXFDNESA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)18(21-10-14(3)24-15(4)11-21)19(23)20-17(12-22)16-8-6-5-7-9-16/h5-9,13-15,17-18,22H,10-12H2,1-4H3,(H,20,23)/t14?,15?,17-,18?/m1/s1.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide?
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide has a molecular weight of 334.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 110001912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).