2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide

C16H20N2O4 — CID 6520128

IUPAC2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C1/CCCC(=O)C1
InChIInChI=1S/C16H20N2O4/c1-2-21-14-8-3-4-9-15(14)22-11-16(20)18-17-12-6-5-7-13(19)10-12/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,18,20)/b17-12-
InChIKeyXFCLDRIADFZHAW-ATVHPVEESA-N
MW304.35 g/mol
LogP2.08
Rot. Bonds6

About 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide

2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide (PubChem CID 6520128) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide
PubChem CID6520128
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C1/CCCC(=O)C1
InChIInChI=1S/C16H20N2O4/c1-2-21-14-8-3-4-9-15(14)22-11-16(20)18-17-12-6-5-7-13(19)10-12/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,18,20)/b17-12-
InChIKeyXFCLDRIADFZHAW-ATVHPVEESA-N
XLogP2.08
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.08
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-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785656
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922595
2-(2-methoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 9315773
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 922131
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]acetamide
CID 7530089
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
CID 4923025

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide (CID 6520128) is 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide is CCOc1ccccc1OCC(=O)N/N=C1/CCCC(=O)C1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide?
The InChIKey is XFCLDRIADFZHAW-ATVHPVEESA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-21-14-8-3-4-9-15(14)22-11-16(20)18-17-12-6-5-7-13(19)10-12/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,18,20)/b17-12-.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide?
2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide has a molecular weight of 304.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide is sourced from PubChem (CID 6520128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).