2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide

C19H20N2O4 — CID 165341655

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(C=NNC(=O)COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H20N2O4/c1-13(2)15-5-3-14(4-6-15)10-20-21-19(22)11-23-16-7-8-17-18(9-16)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyZMTKEORYGAHSQO-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.07
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide (PubChem CID 165341655) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
PubChem CID165341655
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(C=NNC(=O)COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H20N2O4/c1-13(2)15-5-3-14(4-6-15)10-20-21-19(22)11-23-16-7-8-17-18(9-16)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyZMTKEORYGAHSQO-UHFFFAOYSA-N
XLogP3.07
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.07
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

N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-(4-propan-2-ylphenoxy)acetamide
CID 7393274
4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190230
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420731
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 6871426
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19190689
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182935
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420715
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19165696
[4-[(Z)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6378500
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6898858
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910954

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide (CID 165341655) is 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide is CC(C)c1ccc(C=NNC(=O)COc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
The InChIKey is ZMTKEORYGAHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(2)15-5-3-14(4-6-15)10-20-21-19(22)11-23-16-7-8-17-18(9-16)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide has a molecular weight of 340.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 165341655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).