2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide

C24H20N2O4 — CID 126371483

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESC#CCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H20N2O4/c1-2-11-28-21-10-8-18-5-3-4-6-19(18)20(21)16-25-26-24(27)15-17-7-9-22-23(14-17)30-13-12-29-22/h1,3-10,14,16H,11-13,15H2,(H,26,27)/b25-16-
InChIKeyYTXYMUCYOGGRCH-XYGWBWBKSA-N
MW400.43 g/mol
LogP3.32
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 126371483) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID126371483
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESC#CCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H20N2O4/c1-2-11-28-21-10-8-18-5-3-4-6-19(18)20(21)16-25-26-24(27)15-17-7-9-22-23(14-17)30-13-12-29-22/h1,3-10,14,16H,11-13,15H2,(H,26,27)/b25-16-
InChIKeyYTXYMUCYOGGRCH-XYGWBWBKSA-N
XLogP3.32
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126371471
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126371539
N-(2-chlorophenyl)-N'-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 4612998
N-(4-methylphenyl)-N'-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 5021549
2-amino-N-[(E)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 21370937
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126367131
N-(2-methoxyphenyl)-N'-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 5040927
4-chloro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 7933000
N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 1124786
2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 19657881
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135627906
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126367545

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide (CID 126371483) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide is C#CCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is YTXYMUCYOGGRCH-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-11-28-21-10-8-18-5-3-4-6-19(18)20(21)16-25-26-24(27)15-17-7-9-22-23(14-17)30-13-12-29-22/h1,3-10,14,16H,11-13,15H2,(H,26,27)/b25-16-.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 400.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 126371483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).