2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide

C18H17N3O3 — CID 9395075

IUPAC2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
SMILESC[C@H]1C[C@H]1c1ccc(/C=N\NC(=O)COc2ccccc2C#N)o1
InChIInChI=1S/C18H17N3O3/c1-12-8-15(12)17-7-6-14(24-17)10-20-21-18(22)11-23-16-5-3-2-4-13(16)9-19/h2-7,10,12,15H,8,11H2,1H3,(H,21,22)/b20-10-/t12-,15+/m0/s1
InChIKeyVDDCHYAOEZZTHX-DDHXJBMPSA-N
MW323.35 g/mol
LogP2.80
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide (PubChem CID 9395075) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
PubChem CID9395075
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
SMILESC[C@H]1C[C@H]1c1ccc(/C=N\NC(=O)COc2ccccc2C#N)o1
InChIInChI=1S/C18H17N3O3/c1-12-8-15(12)17-7-6-14(24-17)10-20-21-18(22)11-23-16-5-3-2-4-13(16)9-19/h2-7,10,12,15H,8,11H2,1H3,(H,21,22)/b20-10-/t12-,15+/m0/s1
InChIKeyVDDCHYAOEZZTHX-DDHXJBMPSA-N
XLogP2.80
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.80
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

2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9395401
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(3,4-dimethylphenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9393088
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
4-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide (CID 9395075) is 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide is C[C@H]1C[C@H]1c1ccc(/C=N\NC(=O)COc2ccccc2C#N)o1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
The InChIKey is VDDCHYAOEZZTHX-DDHXJBMPSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-8-15(12)17-7-6-14(24-17)10-20-21-18(22)11-23-16-5-3-2-4-13(16)9-19/h2-7,10,12,15H,8,11H2,1H3,(H,21,22)/b20-10-/t12-,15+/m0/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 9395075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).