2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide

C23H29N3O3 — CID 6901783

IUPAC2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-23(2,3)19-6-10-21(11-7-19)29-17-22(27)25-24-16-18-4-8-20(9-5-18)26-12-14-28-15-13-26/h4-11,16H,12-15,17H2,1-3H3,(H,25,27)/b24-16+
InChIKeyDEHFADHHPJAFAC-LFVJCYFKSA-N
MW395.50 g/mol
LogP3.35
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide (PubChem CID 6901783) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
PubChem CID6901783
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-23(2,3)19-6-10-21(11-7-19)29-17-22(27)25-24-16-18-4-8-20(9-5-18)26-12-14-28-15-13-26/h4-11,16H,12-15,17H2,1-3H3,(H,25,27)/b24-16+
InChIKeyDEHFADHHPJAFAC-LFVJCYFKSA-N
XLogP3.35
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.35
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

N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9679361
2-(4-methylphenoxy)-N-[4-(4-morpholinylmethyl)phenyl]acetamide
CID 5178598
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-phenoxyacetohydrazide
CID 6862809
5-Chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)-3-pyridazinone
CID 46172920
2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 1048414
N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5429349
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6392011
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 6875401
N'-{(1E)-[4-(dimethylamino)phenyl]methylene}-2-(4-methoxyphenoxy)acetohydrazide
CID 9556572
N-Phenyl-2-[4-(phenylacetyl-hydrazonomethyl)-phenoxy]-acetamide
CID 9564307
2-(4-Methylphenoxy)-N'-[(E)-[5-nitro-2-(piperidin-1-YL)phenyl]methylidene]acetohydrazide
CID 9595662
2-(3-Methylphenoxy)-N'-[(E)-[2-(morpholin-4-YL)-5-nitrophenyl]methylidene]acetohydrazide
CID 9595793

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide (CID 6901783) is 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The InChIKey is DEHFADHHPJAFAC-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-23(2,3)19-6-10-21(11-7-19)29-17-22(27)25-24-16-18-4-8-20(9-5-18)26-12-14-28-15-13-26/h4-11,16H,12-15,17H2,1-3H3,(H,25,27)/b24-16+.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6901783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).