2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C22H28N4O4 — CID 8592860

IUPAC2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N4O4/c1-25(16-22(28)24-19-5-3-4-6-20(19)29-2)15-21(27)23-17-7-9-18(10-8-17)26-11-13-30-14-12-26/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyDUOQDWARZPRLHC-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.04
Rot. Bonds8

About 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 8592860) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID8592860
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N4O4/c1-25(16-22(28)24-19-5-3-4-6-20(19)29-2)15-21(27)23-17-7-9-18(10-8-17)26-11-13-30-14-12-26/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyDUOQDWARZPRLHC-UHFFFAOYSA-N
XLogP2.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289
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]acetamide
CID 8592798
2-[methyl-[(2-phenoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 17424105
N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4965762
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
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-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 8592860) is 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is COc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DUOQDWARZPRLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-25(16-22(28)24-19-5-3-4-6-20(19)29-2)15-21(27)23-17-7-9-18(10-8-17)26-11-13-30-14-12-26/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 8592860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).