2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C25H34N4O3 — CID 55354484

IUPAC2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H34N4O3/c1-18(2)22-7-5-6-19(3)25(22)27-24(31)17-28(4)16-23(30)26-20-8-10-21(11-9-20)29-12-14-32-15-13-29/h5-11,18H,12-17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyIMPDLBWQXDNRNH-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.46
Rot. Bonds8

About 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55354484) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55354484
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H34N4O3/c1-18(2)22-7-5-6-19(3)25(22)27-24(31)17-28(4)16-23(30)26-20-8-10-21(11-9-20)29-12-14-32-15-13-29/h5-11,18H,12-17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyIMPDLBWQXDNRNH-UHFFFAOYSA-N
XLogP3.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.46
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-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
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-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
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-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55354484) is 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is IMPDLBWQXDNRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-18(2)22-7-5-6-19(3)25(22)27-24(31)17-28(4)16-23(30)26-20-8-10-21(11-9-20)29-12-14-32-15-13-29/h5-11,18H,12-17H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 438.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55354484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).