[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone

C23H27NO3 — CID 121134836

IUPAC[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1ccc(C2CN(C(=O)C3(c4ccccc4)CCOCC3)CCO2)cc1
InChIInChI=1S/C23H27NO3/c1-18-7-9-19(10-8-18)21-17-24(13-16-27-21)22(25)23(11-14-26-15-12-23)20-5-3-2-4-6-20/h2-10,21H,11-17H2,1H3
InChIKeySLVODVFQKCLVDF-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.64
Rot. Bonds3

About [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone

[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 121134836) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID121134836
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1ccc(C2CN(C(=O)C3(c4ccccc4)CCOCC3)CCO2)cc1
InChIInChI=1S/C23H27NO3/c1-18-7-9-19(10-8-18)21-17-24(13-16-27-21)22(25)23(11-14-26-15-12-23)20-5-3-2-4-6-20/h2-10,21H,11-17H2,1H3
InChIKeySLVODVFQKCLVDF-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 78851216
[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 124961302
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 110105302
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 124971623
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 75537654
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone;hydrochloride
CID 120745672
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
[2-(1-aminoethyl)morpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 81483906
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
CID 124949534
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone (CID 121134836) is [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone is Cc1ccc(C2CN(C(=O)C3(c4ccccc4)CCOCC3)CCO2)cc1.
What is the InChIKey of [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is SLVODVFQKCLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-18-7-9-19(10-8-18)21-17-24(13-16-27-21)22(25)23(11-14-26-15-12-23)20-5-3-2-4-6-20/h2-10,21H,11-17H2,1H3.
What are the key properties of [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 365.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 121134836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).