3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide

C22H27N3O3 — CID 113132196

IUPAC3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)23-22(27)11-12-25(18(2)26)21-6-4-3-5-20(21)24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3,(H,23,27)
InChIKeyJTJCYLDEBWABNT-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.21
Rot. Bonds6

About 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide

3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 113132196) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
PubChem CID113132196
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)23-22(27)11-12-25(18(2)26)21-6-4-3-5-20(21)24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3,(H,23,27)
InChIKeyJTJCYLDEBWABNT-UHFFFAOYSA-N
XLogP3.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
CID 113132150
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113132180
ethyl N-[2-(N-acetyl-2-morpholin-4-ylanilino)ethyl]carbamate
CID 113062485
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296
2-(N-acetyl-2-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 113177265
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582
3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 113124259
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
2-(N-acetyl-2,4,6-trimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 113170062

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide (CID 113132196) is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1ccccc1N1CCOCC1.
What is the InChIKey of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is JTJCYLDEBWABNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)23-22(27)11-12-25(18(2)26)21-6-4-3-5-20(21)24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3,(H,23,27).
What are the key properties of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide?
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113132196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).