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

C21H25ClN2O3 — CID 19190680

IUPAC2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-2-3-4-5-14-26-19-10-6-17(7-11-19)15-23-24-21(25)16-27-20-12-8-18(22)9-13-20/h6-13,15H,2-5,14,16H2,1H3,(H,24,25)/b23-15+
InChIKeySROANNDYUNFTIT-HZHRSRAPSA-N
MW388.90 g/mol
LogP4.83
Rot. Bonds11

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

2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide (PubChem CID 19190680) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
PubChem CID19190680
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-2-3-4-5-14-26-19-10-6-17(7-11-19)15-23-24-21(25)16-27-20-12-8-18(22)9-13-20/h6-13,15H,2-5,14,16H2,1H3,(H,24,25)/b23-15+
InChIKeySROANNDYUNFTIT-HZHRSRAPSA-N
XLogP4.83
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.83
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

N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19190689
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
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
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide (CID 19190680) is 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide is CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
The InChIKey is SROANNDYUNFTIT-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-2-3-4-5-14-26-19-10-6-17(7-11-19)15-23-24-21(25)16-27-20-12-8-18(22)9-13-20/h6-13,15H,2-5,14,16H2,1H3,(H,24,25)/b23-15+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19190680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).