(2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one

C19H23NO3 — CID 101436933

IUPAC(2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)[C@@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO3/c1-14(18(21)20-9-11-23-12-10-20)19(2,22)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14,22H,9-12H2,1-2H3/t14-,19+/m0/s1
InChIKeyKHOFMGNEQZLBGM-IFXJQAMLSA-N
MW313.40 g/mol
LogP2.54
Rot. Bonds3

About (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one

(2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one (PubChem CID 101436933) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one
PubChem CID101436933
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)[C@@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO3/c1-14(18(21)20-9-11-23-12-10-20)19(2,22)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14,22H,9-12H2,1-2H3/t14-,19+/m0/s1
InChIKeyKHOFMGNEQZLBGM-IFXJQAMLSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-1-(morpholin-4-yl)-2,3-diphenylpropan-1-one
CID 236250
(3S*,4S*)-4-(2-naphthyl)-1-propionylpiperidin-3-ol
CID 56715170
2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide
CID 72843487
1-[4-(2,3-Dimethylphenyl)-4-hydroxypiperidin-1-yl]-3-phenylpropan-1-one
CID 72125094
3-Hydroxy-1-(morpholin-4-yl)-2,3,3-triphenylpropan-1-one
CID 236256
1-Benzyl-3-[hydroxy(naphthalen-2-yl)methyl]piperidin-2-one
CID 76330568
(1R)-2-[(3R,5S)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-(2-naphthyl)-2-oxoethanol
CID 77097669
2-(1-hydroxycyclopentyl)-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide
CID 97601339
(2R)-2-hydroxy-N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2-naphthyl)acetamide
CID 118776253
(2R)-1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140848
3-[3,6-Di-trifluoromethyl-9-phennathryl]-3-hydroxy-N,N-di-n-butylpropanamide
CID 581849
1-(2-Fluoro-6-naphthalen-2-ylmorpholin-4-yl)propan-1-one
CID 20335046

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one?
The IUPAC name of (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one (CID 101436933) is (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one is C[C@@H](C(=O)N1CCOCC1)[C@@](C)(O)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one?
The InChIKey is KHOFMGNEQZLBGM-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(18(21)20-9-11-23-12-10-20)19(2,22)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14,22H,9-12H2,1-2H3/t14-,19+/m0/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one?
(2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-methyl-1-morpholin-4-yl-3-naphthalen-2-ylbutan-1-one is sourced from PubChem (CID 101436933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).