[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

C19H25NO3 — CID 71999082

IUPAC[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCc1ccccc1C1CN(C(=O)C2CC3CCC2O3)C(C)CO1
InChIInChI=1S/C19H25NO3/c1-12-5-3-4-6-15(12)18-10-20(13(2)11-22-18)19(21)16-9-14-7-8-17(16)23-14/h3-6,13-14,16-18H,7-11H2,1-2H3
InChIKeyOPDLMRNIDWKRHD-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.85
Rot. Bonds2

About [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 71999082) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID71999082
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCc1ccccc1C1CN(C(=O)C2CC3CCC2O3)C(C)CO1
InChIInChI=1S/C19H25NO3/c1-12-5-3-4-6-15(12)18-10-20(13(2)11-22-18)19(21)16-9-14-7-8-17(16)23-14/h3-6,13-14,16-18H,7-11H2,1-2H3
InChIKeyOPDLMRNIDWKRHD-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
CID 119798520
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119186209
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 71999082) is [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is Cc1ccccc1C1CN(C(=O)C2CC3CCC2O3)C(C)CO1.
What is the InChIKey of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is OPDLMRNIDWKRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-5-3-4-6-15(12)18-10-20(13(2)11-22-18)19(21)16-9-14-7-8-17(16)23-14/h3-6,13-14,16-18H,7-11H2,1-2H3.
What are the key properties of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 315.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 71999082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).