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

C24H24N2O4 — CID 126371471

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O4/c1-16(2)30-21-10-8-18-5-3-4-6-19(18)20(21)15-25-26-24(27)14-17-7-9-22-23(13-17)29-12-11-28-22/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,27)/b25-15-
InChIKeyYOQCFHRMUIDHTM-MYYYXRDXSA-N
MW404.47 g/mol
LogP4.09
Rot. Bonds6

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 126371471) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID126371471
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O4/c1-16(2)30-21-10-8-18-5-3-4-6-19(18)20(21)15-25-26-24(27)14-17-7-9-22-23(13-17)29-12-11-28-22/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,27)/b25-15-
InChIKeyYOQCFHRMUIDHTM-MYYYXRDXSA-N
XLogP4.09
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.09
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
CID 126371483
2-(4-methylphenyl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126370475
2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126369367
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126367131
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110767511
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135627906
N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 1124786
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126371539
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126367545
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196374
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126367952
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169004

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide (CID 126371471) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide is CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is YOQCFHRMUIDHTM-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16(2)30-21-10-8-18-5-3-4-6-19(18)20(21)15-25-26-24(27)14-17-7-9-22-23(13-17)29-12-11-28-22/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,27)/b25-15-.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 404.47 g/mol, XLogP of 4.09, 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-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 126371471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).