2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide

C16H22N4O4 — CID 102030717

IUPAC2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NNC(=O)COc1cccc(OCC(=O)NN=C(C)C)c1
InChIInChI=1S/C16H22N4O4/c1-11(2)17-19-15(21)9-23-13-6-5-7-14(8-13)24-10-16(22)20-18-12(3)4/h5-8H,9-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRNMDPPSRYSIWML-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.47
Rot. Bonds8

About 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide

2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide (PubChem CID 102030717) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide
PubChem CID102030717
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NNC(=O)COc1cccc(OCC(=O)NN=C(C)C)c1
InChIInChI=1S/C16H22N4O4/c1-11(2)17-19-15(21)9-23-13-6-5-7-14(8-13)24-10-16(22)20-18-12(3)4/h5-8H,9-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRNMDPPSRYSIWML-UHFFFAOYSA-N
XLogP1.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
CID 6381920
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide (CID 102030717) is 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide is CC(C)=NNC(=O)COc1cccc(OCC(=O)NN=C(C)C)c1.
What is the InChIKey of 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide?
The InChIKey is RNMDPPSRYSIWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-11(2)17-19-15(21)9-23-13-6-5-7-14(8-13)24-10-16(22)20-18-12(3)4/h5-8H,9-10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide?
2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide has a molecular weight of 334.38 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 102030717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).