N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

C24H32N2O3 — CID 19190689

IUPACN-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-4-5-6-7-16-28-22-12-8-20(9-13-22)17-25-26-24(27)18-29-23-14-10-21(11-15-23)19(2)3/h8-15,17,19H,4-7,16,18H2,1-3H3,(H,26,27)/b25-17+
InChIKeyZYQXXYPURGNKIY-KOEQRZSOSA-N
MW396.53 g/mol
LogP5.30
Rot. Bonds12

About N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 19190689) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID19190689
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-4-5-6-7-16-28-22-12-8-20(9-13-22)17-25-26-24(27)18-29-23-14-10-21(11-15-23)19(2)3/h8-15,17,19H,4-7,16,18H2,1-3H3,(H,26,27)/b25-17+
InChIKeyZYQXXYPURGNKIY-KOEQRZSOSA-N
XLogP5.30
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
[4-[(Z)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 6241654
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
N-[(4-butoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4180161
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190230
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (CID 19190689) is N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is ZYQXXYPURGNKIY-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-5-6-7-16-28-22-12-8-20(9-13-22)17-25-26-24(27)18-29-23-14-10-21(11-15-23)19(2)3/h8-15,17,19H,4-7,16,18H2,1-3H3,(H,26,27)/b25-17+.
What are the key properties of N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 396.53 g/mol, XLogP of 5.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19190689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).