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

C21H25NO4 — CID 95545475

IUPAC1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
SMILESCOc1ccc2cc([C@H]3CN(C(=O)C(=O)CC(C)C)CCO3)ccc2c1
InChIInChI=1S/C21H25NO4/c1-14(2)10-19(23)21(24)22-8-9-26-20(13-22)17-5-4-16-12-18(25-3)7-6-15(16)11-17/h4-7,11-12,14,20H,8-10,13H2,1-3H3/t20-/m1/s1
InChIKeyRYCUSAZLSZSCFZ-HXUWFJFHSA-N
MW355.43 g/mol
LogP3.36
Rot. Bonds5

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

1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione (PubChem CID 95545475) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione.

Molecular Properties

Compound Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
PubChem CID95545475
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
SMILESCOc1ccc2cc([C@H]3CN(C(=O)C(=O)CC(C)C)CCO3)ccc2c1
InChIInChI=1S/C21H25NO4/c1-14(2)10-19(23)21(24)22-8-9-26-20(13-22)17-5-4-16-12-18(25-3)7-6-15(16)11-17/h4-7,11-12,14,20H,8-10,13H2,1-3H3/t20-/m1/s1
InChIKeyRYCUSAZLSZSCFZ-HXUWFJFHSA-N
XLogP3.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.36
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]butane-1,2-dione
CID 95562776
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
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
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
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56875502
[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
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione?
The IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione (CID 95545475) is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione.
What is the SMILES notation for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione?
The canonical SMILES for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione is COc1ccc2cc([C@H]3CN(C(=O)C(=O)CC(C)C)CCO3)ccc2c1.
What is the InChIKey of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione?
The InChIKey is RYCUSAZLSZSCFZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO4/c1-14(2)10-19(23)21(24)22-8-9-26-20(13-22)17-5-4-16-12-18(25-3)7-6-15(16)11-17/h4-7,11-12,14,20H,8-10,13H2,1-3H3/t20-/m1/s1.
What are the key properties of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione?
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione has a molecular weight of 355.43 g/mol, XLogP of 3.36, 5 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]-4-methylpentane-1,2-dione is sourced from PubChem (CID 95545475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).