[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone

C17H24N2O3 — CID 119798520

IUPAC[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
SMILESCc1ccccc1C1CN(C(=O)C2CNCCO2)C(C)CO1
InChIInChI=1S/C17H24N2O3/c1-12-5-3-4-6-14(12)16-10-19(13(2)11-22-16)17(20)15-9-18-7-8-21-15/h3-6,13,15-16,18H,7-11H2,1-2H3
InChIKeyCDAVJKLKPPCXLM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.27
Rot. Bonds2

About [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone

[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone (PubChem CID 119798520) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
PubChem CID119798520
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
SMILESCc1ccccc1C1CN(C(=O)C2CNCCO2)C(C)CO1
InChIInChI=1S/C17H24N2O3/c1-12-5-3-4-6-14(12)16-10-19(13(2)11-22-16)17(20)15-9-18-7-8-21-15/h3-6,13,15-16,18H,7-11H2,1-2H3
InChIKeyCDAVJKLKPPCXLM-UHFFFAOYSA-N
XLogP1.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119186209
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71999082
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
CID 124694261
5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone?
The IUPAC name of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone (CID 119798520) is [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone is Cc1ccccc1C1CN(C(=O)C2CNCCO2)C(C)CO1.
What is the InChIKey of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone?
The InChIKey is CDAVJKLKPPCXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-5-3-4-6-14(12)16-10-19(13(2)11-22-16)17(20)15-9-18-7-8-21-15/h3-6,13,15-16,18H,7-11H2,1-2H3.
What are the key properties of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone?
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119798520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).