N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

C20H22N2O4 — CID 3628183

IUPACN-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1cc(OC)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-4-7-15-8-5-6-9-19(15)26-14-20(23)22-21-13-16-12-17(24-2)10-11-18(16)25-3/h4-6,8-13H,1,7,14H2,2-3H3,(H,22,23)
InChIKeyXEISNNICKIZXNQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.96
Rot. Bonds9

About N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 3628183) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID3628183
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1cc(OC)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-4-7-15-8-5-6-9-19(15)26-14-20(23)22-21-13-16-12-17(24-2)10-11-18(16)25-3/h4-6,8-13H,1,7,14H2,2-3H3,(H,22,23)
InChIKeyXEISNNICKIZXNQ-UHFFFAOYSA-N
XLogP2.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 135562646
[4-bromo-2-[[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3597186
2-(2-benzylphenoxy)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 9359690
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136782137
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6111873
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6265616
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 1365002
2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 5188168
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (CID 3628183) is N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)NN=Cc1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is XEISNNICKIZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-7-15-8-5-6-9-19(15)26-14-20(23)22-21-13-16-12-17(24-2)10-11-18(16)25-3/h4-6,8-13H,1,7,14H2,2-3H3,(H,22,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 3628183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).