1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione

C19H21NO4 — CID 95562776

IUPAC1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
SMILESCCC(=O)C(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C19H21NO4/c1-3-17(21)19(22)20-8-9-24-18(12-20)15-5-4-14-11-16(23-2)7-6-13(14)10-15/h4-7,10-11,18H,3,8-9,12H2,1-2H3/t18-/m1/s1
InChIKeyHIHGIRUTMZJQMQ-GOSISDBHSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds4

About 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione

1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione (PubChem CID 95562776) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione.

Molecular Properties

Compound Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
PubChem CID95562776
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
SMILESCCC(=O)C(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C19H21NO4/c1-3-17(21)19(22)20-8-9-24-18(12-20)15-5-4-14-11-16(23-2)7-6-13(14)10-15/h4-7,10-11,18H,3,8-9,12H2,1-2H3/t18-/m1/s1
InChIKeyHIHGIRUTMZJQMQ-GOSISDBHSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562775
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
CID 95545475
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95455738
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556663
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556664
methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
CID 95551662
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]urea
CID 95525209
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 56866342
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione?
The IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione (CID 95562776) is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione.
What is the SMILES notation for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione?
The canonical SMILES for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione is CCC(=O)C(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1.
What is the InChIKey of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione?
The InChIKey is HIHGIRUTMZJQMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-17(21)19(22)20-8-9-24-18(12-20)15-5-4-14-11-16(23-2)7-6-13(14)10-15/h4-7,10-11,18H,3,8-9,12H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione?
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione has a molecular weight of 327.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione is sourced from PubChem (CID 95562776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).