(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone

C19H29NO2 — CID 95556503

IUPAC(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCO[C@H](CCCC(C)C)C2)c1
InChIInChI=1S/C19H29NO2/c1-14(2)6-5-7-17-13-20(10-11-22-17)19(21)18-12-15(3)8-9-16(18)4/h8-9,12,14,17H,5-7,10-11,13H2,1-4H3/t17-/m1/s1
InChIKeyUAOIJNKLKWLGHE-QGZVFWFLSA-N
MW303.45 g/mol
LogP3.97
Rot. Bonds5

About (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone

(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 95556503) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID95556503
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCO[C@H](CCCC(C)C)C2)c1
InChIInChI=1S/C19H29NO2/c1-14(2)6-5-7-17-13-20(10-11-22-17)19(21)18-12-15(3)8-9-16(18)4/h8-9,12,14,17H,5-7,10-11,13H2,1-4H3/t17-/m1/s1
InChIKeyUAOIJNKLKWLGHE-QGZVFWFLSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 45235539
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556606
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone (CID 95556503) is (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone is Cc1ccc(C)c(C(=O)N2CCO[C@H](CCCC(C)C)C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is UAOIJNKLKWLGHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)6-5-7-17-13-20(10-11-22-17)19(21)18-12-15(3)8-9-16(18)4/h8-9,12,14,17H,5-7,10-11,13H2,1-4H3/t17-/m1/s1.
What are the key properties of (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 303.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95556503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).