2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide

C24H32N4O3 — CID 8592818

IUPAC2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-18(2)19-4-6-20(7-5-19)25-23(29)16-27(3)17-24(30)26-21-8-10-22(11-9-21)28-12-14-31-15-13-28/h4-11,18H,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyLUYLHQYWYNPOJP-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.16
Rot. Bonds8

About 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 8592818) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID8592818
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-18(2)19-4-6-20(7-5-19)25-23(29)16-27(3)17-24(30)26-21-8-10-22(11-9-21)28-12-14-31-15-13-28/h4-11,18H,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyLUYLHQYWYNPOJP-UHFFFAOYSA-N
XLogP3.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
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

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
2-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55504037
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354484
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide (CID 8592818) is 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is LUYLHQYWYNPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18(2)19-4-6-20(7-5-19)25-23(29)16-27(3)17-24(30)26-21-8-10-22(11-9-21)28-12-14-31-15-13-28/h4-11,18H,12-17H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 8592818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).