2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide

C19H17N3O4 — CID 9316629

IUPAC2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O4/c1-13(15-4-7-17-18(10-15)25-9-8-24-17)21-22-19(23)12-26-16-5-2-14(11-20)3-6-16/h2-7,10H,8-9,12H2,1H3,(H,22,23)/b21-13-
InChIKeyHRPARBXWHUZQGT-BKUYFWCQSA-N
MW351.36 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide

2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide (PubChem CID 9316629) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
PubChem CID9316629
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O4/c1-13(15-4-7-17-18(10-15)25-9-8-24-17)21-22-19(23)12-26-16-5-2-14(11-20)3-6-16/h2-7,10H,8-9,12H2,1H3,(H,22,23)/b21-13-
InChIKeyHRPARBXWHUZQGT-BKUYFWCQSA-N
XLogP2.25
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-(4-cyanophenoxy)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9217788
2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 6272149
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 9256860
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]phenyl]benzonitrile
CID 7670398
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
2-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 26678170
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enehydrazide
CID 9471674
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
2-[4-(4-cyanophenyl)phenoxy]-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]acetohydrazide
CID 24636238

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide (CID 9316629) is 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
The InChIKey is HRPARBXWHUZQGT-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13(15-4-7-17-18(10-15)25-9-8-24-17)21-22-19(23)12-26-16-5-2-14(11-20)3-6-16/h2-7,10H,8-9,12H2,1H3,(H,22,23)/b21-13-.
What are the key properties of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide has a molecular weight of 351.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide is sourced from PubChem (CID 9316629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).