2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide

C21H26N4O4 — CID 33161192

IUPAC2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O4/c1-15(26)23-17-5-8-20(28-2)19(13-17)22-14-21(27)24-16-3-6-18(7-4-16)25-9-11-29-12-10-25/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZGSHTYRQYBULHC-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.54
Rot. Bonds7

About 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide

2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 33161192) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID33161192
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O4/c1-15(26)23-17-5-8-20(28-2)19(13-17)22-14-21(27)24-16-3-6-18(7-4-16)25-9-11-29-12-10-25/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZGSHTYRQYBULHC-UHFFFAOYSA-N
XLogP2.54
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
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-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60587672
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60536689
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
2-(5-acetamido-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965842

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide (CID 33161192) is 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide is COc1ccc(NC(C)=O)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZGSHTYRQYBULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15(26)23-17-5-8-20(28-2)19(13-17)22-14-21(27)24-16-3-6-18(7-4-16)25-9-11-29-12-10-25/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 398.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 33161192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).