2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide

C21H24ClN3O4 — CID 6877055

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
SMILESCC(C)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-15(2)13-28-18-7-3-16(4-8-18)11-24-25-20(26)12-23-21(27)14-29-19-9-5-17(22)6-10-19/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,25,26)/b24-11+
InChIKeyARPOFJXUTLGVLZ-BHGWPJFGSA-N
MW417.89 g/mol
LogP3.02
Rot. Bonds10

About 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide

2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide (PubChem CID 6877055) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
PubChem CID6877055
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
SMILESCC(C)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-15(2)13-28-18-7-3-16(4-8-18)11-24-25-20(26)12-23-21(27)14-29-19-9-5-17(22)6-10-19/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,25,26)/b24-11+
InChIKeyARPOFJXUTLGVLZ-BHGWPJFGSA-N
XLogP3.02
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
CID 126191967
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
3,4-dimethoxy-N-[2-[2-[[4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4023456
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6877054
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
2-(4-chlorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide
CID 4996194
2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 3979326
methyl 4-[(Z)-[[(2R)-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylpentanoyl]hydrazinylidene]methyl]benzoate
CID 126022447
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide (CID 6877055) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide is CC(C)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide?
The InChIKey is ARPOFJXUTLGVLZ-BHGWPJFGSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-15(2)13-28-18-7-3-16(4-8-18)11-24-25-20(26)12-23-21(27)14-29-19-9-5-17(22)6-10-19/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,25,26)/b24-11+.
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide?
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide has a molecular weight of 417.89 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6877055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).