(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone

C20H24N2O3 — CID 86991464

IUPAC(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2)14-22(12-13-25-20)19(23)17-6-4-5-7-18(17)21-15-8-10-16(24-3)11-9-15/h4-11,21H,12-14H2,1-3H3
InChIKeyTULSFFLPXWQLFF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds4

About (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone

(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone (PubChem CID 86991464) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
PubChem CID86991464
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2)14-22(12-13-25-20)19(23)17-6-4-5-7-18(17)21-15-8-10-16(24-3)11-9-15/h4-11,21H,12-14H2,1-3H3
InChIKeyTULSFFLPXWQLFF-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52612933
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
CID 124688795
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methoxyanilino)phenyl]methanone
CID 119635753
1-[2-(3-methoxyanilino)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257609
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone (CID 86991464) is (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone is COc1ccc(Nc2ccccc2C(=O)N2CCOC(C)(C)C2)cc1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone?
The InChIKey is TULSFFLPXWQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2)14-22(12-13-25-20)19(23)17-6-4-5-7-18(17)21-15-8-10-16(24-3)11-9-15/h4-11,21H,12-14H2,1-3H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone?
(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone has a molecular weight of 340.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone is sourced from PubChem (CID 86991464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).