2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone

C21H28N2O3 — CID 95455738

IUPAC2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C21H28N2O3/c1-4-22(5-2)15-21(24)23-10-11-26-20(14-23)18-7-6-17-13-19(25-3)9-8-16(17)12-18/h6-9,12-13,20H,4-5,10-11,14-15H2,1-3H3/t20-/m1/s1
InChIKeyXOLXBVLZGTYMIS-HXUWFJFHSA-N
MW356.47 g/mol
LogP3.09
Rot. Bonds6

About 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone

2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone (PubChem CID 95455738) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
PubChem CID95455738
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C21H28N2O3/c1-4-22(5-2)15-21(24)23-10-11-26-20(14-23)18-7-6-17-13-19(25-3)9-8-16(17)12-18/h6-9,12-13,20H,4-5,10-11,14-15H2,1-3H3/t20-/m1/s1
InChIKeyXOLXBVLZGTYMIS-HXUWFJFHSA-N
XLogP3.09
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
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
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
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
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089
[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]urea
CID 95525209
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
CID 154892435
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
CID 95545475
methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
CID 95551662

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone (CID 95455738) is 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone is CCN(CC)CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1.
What is the InChIKey of 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone?
The InChIKey is XOLXBVLZGTYMIS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-22(5-2)15-21(24)23-10-11-26-20(14-23)18-7-6-17-13-19(25-3)9-8-16(17)12-18/h6-9,12-13,20H,4-5,10-11,14-15H2,1-3H3/t20-/m1/s1.
What are the key properties of 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone?
2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 95455738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).