N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide

C20H22N2O3 — CID 54788819

IUPACN-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccccc1OCCC
InChIInChI=1S/C20H22N2O3/c1-3-13-24-18-11-7-5-9-16(18)15-21-22-20(23)17-10-6-8-12-19(17)25-14-4-2/h3,5-12,15H,1,4,13-14H2,2H3,(H,22,23)/b21-15+
InChIKeyLJNQVJYOTLLWMQ-RCCKNPSSSA-N
MW338.41 g/mol
LogP3.80
Rot. Bonds9

About N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide

N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide (PubChem CID 54788819) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
PubChem CID54788819
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccccc1OCCC
InChIInChI=1S/C20H22N2O3/c1-3-13-24-18-11-7-5-9-16(18)15-21-22-20(23)17-10-6-8-12-19(17)25-14-4-2/h3,5-12,15H,1,4,13-14H2,2H3,(H,22,23)/b21-15+
InChIKeyLJNQVJYOTLLWMQ-RCCKNPSSSA-N
XLogP3.80
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928918
2-nitro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788854
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide?
The IUPAC name of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide (CID 54788819) is N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide.
What is the SMILES notation for N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide?
The canonical SMILES for N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide is C=CCOc1ccccc1/C=N/NC(=O)c1ccccc1OCCC.
What is the InChIKey of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide?
The InChIKey is LJNQVJYOTLLWMQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-13-24-18-11-7-5-9-16(18)15-21-22-20(23)17-10-6-8-12-19(17)25-14-4-2/h3,5-12,15H,1,4,13-14H2,2H3,(H,22,23)/b21-15+.
What are the key properties of N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide?
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide is sourced from PubChem (CID 54788819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).