[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone

C21H25NO4 — CID 56866342

IUPAC[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCOc1ccc2cc(C3CN(C(=O)C4CCOCC4)CCO3)ccc2c1
InChIInChI=1S/C21H25NO4/c1-24-19-5-4-16-12-18(3-2-17(16)13-19)20-14-22(8-11-26-20)21(23)15-6-9-25-10-7-15/h2-5,12-13,15,20H,6-11,14H2,1H3
InChIKeyMNTDOMQMSDFWRA-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.17
Rot. Bonds3

About [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone

[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone (PubChem CID 56866342) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
PubChem CID56866342
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCOc1ccc2cc(C3CN(C(=O)C4CCOCC4)CCO3)ccc2c1
InChIInChI=1S/C21H25NO4/c1-24-19-5-4-16-12-18(3-2-17(16)13-19)20-14-22(8-11-26-20)21(23)15-6-9-25-10-7-15/h2-5,12-13,15,20H,6-11,14H2,1H3
InChIKeyMNTDOMQMSDFWRA-UHFFFAOYSA-N
XLogP3.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
CID 95545475
2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95455738
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
(1-aminocyclobutyl)-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone;hydrochloride
CID 154924796
(5-hydroxy-2-pyridinyl)-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555607
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 [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone (CID 56866342) is [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone is COc1ccc2cc(C3CN(C(=O)C4CCOCC4)CCO3)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is MNTDOMQMSDFWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-19-5-4-16-12-18(3-2-17(16)13-19)20-14-22(8-11-26-20)21(23)15-6-9-25-10-7-15/h2-5,12-13,15,20H,6-11,14H2,1H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 355.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 56866342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).