2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

C24H31N3O3 — CID 4119002

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(2)22-10-5-18(3)15-23(22)30-16-24(28)26-25-19(4)20-6-8-21(9-7-20)27-11-13-29-14-12-27/h5-10,15,17H,11-14,16H2,1-4H3,(H,26,28)
InChIKeyXJIZMXKPYSFVFJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.87
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (PubChem CID 4119002) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
PubChem CID4119002
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(2)22-10-5-18(3)15-23(22)30-16-24(28)26-25-19(4)20-6-8-21(9-7-20)27-11-13-29-14-12-27/h5-10,15,17H,11-14,16H2,1-4H3,(H,26,28)
InChIKeyXJIZMXKPYSFVFJ-UHFFFAOYSA-N
XLogP3.87
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
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-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6014462
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6219369
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 4853606
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9255870
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5174343
N-[(E)-1-(3-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 18205959
N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5419872
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (CID 4119002) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The InChIKey is XJIZMXKPYSFVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)22-10-5-18(3)15-23(22)30-16-24(28)26-25-19(4)20-6-8-21(9-7-20)27-11-13-29-14-12-27/h5-10,15,17H,11-14,16H2,1-4H3,(H,26,28).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4119002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).