2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C21H24ClN3O4 — CID 4820757

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O4/c1-24(21(27)15-29-19-8-2-16(22)3-9-19)14-20(26)23-17-4-6-18(7-5-17)25-10-12-28-13-11-25/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyWXSVWORXAMTLHU-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.65
Rot. Bonds7

About 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4820757) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4820757
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O4/c1-24(21(27)15-29-19-8-2-16(22)3-9-19)14-20(26)23-17-4-6-18(7-5-17)25-10-12-28-13-11-25/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyWXSVWORXAMTLHU-UHFFFAOYSA-N
XLogP2.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.65
H-Bond Donors ≤ 51
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-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820741
2-(4-chlorophenoxy)-N,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 4820759
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9417469
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55328554
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886433
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
4-chloro-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55328563

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 4820757) is 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is WXSVWORXAMTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-24(21(27)15-29-19-8-2-16(22)3-9-19)14-20(26)23-17-4-6-18(7-5-17)25-10-12-28-13-11-25/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 417.89 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4820757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).