2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

C24H31N3O3 — CID 6392011

IUPAC2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(19-5-9-21(10-6-19)27-13-15-29-16-14-27)25-26-23(28)17-30-22-11-7-20(8-12-22)24(2,3)4/h5-12H,13-17H2,1-4H3,(H,26,28)/b25-18-
InChIKeyBFRCHDVPCKEBRT-BWAHOGKJSA-N
MW409.53 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (PubChem CID 6392011) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
PubChem CID6392011
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(19-5-9-21(10-6-19)27-13-15-29-16-14-27)25-26-23(28)17-30-22-11-7-20(8-12-22)24(2,3)4/h5-12H,13-17H2,1-4H3,(H,26,28)/b25-18-
InChIKeyBFRCHDVPCKEBRT-BWAHOGKJSA-N
XLogP3.74
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.74
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-(morpholin-4-ylmethyl)phenyl]acetamide
CID 5178598
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-phenoxyacetohydrazide
CID 6862809
4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 15599439
2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 1048414
2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6901783
N'-{(1E)-[4-(dimethylamino)phenyl]methylene}-2-(4-methoxyphenoxy)acetohydrazide
CID 9556572
N-Phenyl-2-[4-(phenylacetyl-hydrazonomethyl)-phenoxy]-acetamide
CID 9564307
2-(3,5-dimethylphenoxy)-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9647096
2-(4-cyanophenoxy)-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9687806
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3-methylphenoxy)acetohydrazide
CID 6870860
2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4-propan-2-yl-1,4-benzoxazin-3-one
CID 15599429

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (CID 6392011) is 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The InChIKey is BFRCHDVPCKEBRT-BWAHOGKJSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(19-5-9-21(10-6-19)27-13-15-29-16-14-27)25-26-23(28)17-30-22-11-7-20(8-12-22)24(2,3)4/h5-12H,13-17H2,1-4H3,(H,26,28)/b25-18-.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.74, 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-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6392011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).