(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one

C18H27N3O3 — CID 94114537

IUPAC(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-14-13-16(20-5-9-23-10-6-20)3-4-17(14)19-15(2)18(22)21-7-11-24-12-8-21/h3-4,13,15,19H,5-12H2,1-2H3/t15-/m1/s1
InChIKeyZCFATRUJSKKEHM-OAHLLOKOSA-N
MW333.43 g/mol
LogP1.49
Rot. Bonds4

About (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one

(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 94114537) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID94114537
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-14-13-16(20-5-9-23-10-6-20)3-4-17(14)19-15(2)18(22)21-7-11-24-12-8-21/h3-4,13,15,19H,5-12H2,1-2H3/t15-/m1/s1
InChIKeyZCFATRUJSKKEHM-OAHLLOKOSA-N
XLogP1.49
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34499731
2-(2-methyl-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 115571728
(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
CID 94114535
2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 55629768
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate
CID 174467561
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one (CID 94114537) is (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one is Cc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZCFATRUJSKKEHM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-13-16(20-5-9-23-10-6-20)3-4-17(14)19-15(2)18(22)21-7-11-24-12-8-21/h3-4,13,15,19H,5-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one?
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 333.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 94114537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).