[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone

C18H25NO3 — CID 94676078

IUPAC[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccccc1C1(C(=O)N2CCO[C@@H](C)C2)CCOCC1
InChIInChI=1S/C18H25NO3/c1-14-5-3-4-6-16(14)18(7-10-21-11-8-18)17(20)19-9-12-22-15(2)13-19/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
InChIKeyOLUHTEJOXZHZKZ-HNNXBMFYSA-N
MW303.40 g/mol
LogP2.29
Rot. Bonds2

About [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone

[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone (PubChem CID 94676078) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
PubChem CID94676078
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccccc1C1(C(=O)N2CCO[C@@H](C)C2)CCOCC1
InChIInChI=1S/C18H25NO3/c1-14-5-3-4-6-16(14)18(7-10-21-11-8-18)17(20)19-9-12-22-15(2)13-19/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
InChIKeyOLUHTEJOXZHZKZ-HNNXBMFYSA-N
XLogP2.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[2-(difluoromethyl)morpholin-4-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126772723
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone
CID 126775057
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone;hydrochloride
CID 120747893
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
4-(2-methylphenyl)oxane-4-carboxylic acid
CID 18524018
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78832224
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 154749248

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone?
The IUPAC name of [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone (CID 94676078) is [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone.
What is the SMILES notation for [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone?
The canonical SMILES for [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone is Cc1ccccc1C1(C(=O)N2CCO[C@@H](C)C2)CCOCC1.
What is the InChIKey of [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone?
The InChIKey is OLUHTEJOXZHZKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-5-3-4-6-16(14)18(7-10-21-11-8-18)17(20)19-9-12-22-15(2)13-19/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone?
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone has a molecular weight of 303.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone is sourced from PubChem (CID 94676078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).