3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one

C20H30N2O3 — CID 99106789

IUPAC3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C)c([C@@H]2CN(CCC(=O)N3CCOCC3)[C@@H](C)CO2)c1
InChIInChI=1S/C20H30N2O3/c1-15-4-5-16(2)18(12-15)19-13-22(17(3)14-25-19)7-6-20(23)21-8-10-24-11-9-21/h4-5,12,17,19H,6-11,13-14H2,1-3H3/t17-,19-/m0/s1
InChIKeyYVQIQBBLDTVLQL-HKUYNNGSSA-N
MW346.47 g/mol
LogP2.31
Rot. Bonds4

About 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 99106789) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID99106789
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C)c([C@@H]2CN(CCC(=O)N3CCOCC3)[C@@H](C)CO2)c1
InChIInChI=1S/C20H30N2O3/c1-15-4-5-16(2)18(12-15)19-13-22(17(3)14-25-19)7-6-20(23)21-8-10-24-11-9-21/h4-5,12,17,19H,6-11,13-14H2,1-3H3/t17-,19-/m0/s1
InChIKeyYVQIQBBLDTVLQL-HKUYNNGSSA-N
XLogP2.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120981988
N-[3-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propyl]methanesulfonamide
CID 98791750
(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine
CID 99640572
3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981473
2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
CID 119806064
3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56793687
(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
CID 119336365
1-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 124685919
5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide
CID 100640005
[(2S,5R)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607190
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 99106789) is 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccc(C)c([C@@H]2CN(CCC(=O)N3CCOCC3)[C@@H](C)CO2)c1.
What is the InChIKey of 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YVQIQBBLDTVLQL-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-4-5-16(2)18(12-15)19-13-22(17(3)14-25-19)7-6-20(23)21-8-10-24-11-9-21/h4-5,12,17,19H,6-11,13-14H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 346.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 99106789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).