4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide

C20H24N2O3 — CID 133169717

IUPAC4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-13-24-18-9-5-16(6-10-18)15-21-22-20(23)17-7-11-19(12-8-17)25-14-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)/b21-15+
InChIKeyONJLYKZIBRJFRR-RCCKNPSSSA-N
MW340.42 g/mol
LogP4.03
Rot. Bonds9

About 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide

4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide (PubChem CID 133169717) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
PubChem CID133169717
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-13-24-18-9-5-16(6-10-18)15-21-22-20(23)17-7-11-19(12-8-17)25-14-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)/b21-15+
InChIKeyONJLYKZIBRJFRR-RCCKNPSSSA-N
XLogP4.03
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 51061973
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 133169560
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide (CID 133169717) is 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide is CCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1.
What is the InChIKey of 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is ONJLYKZIBRJFRR-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-13-24-18-9-5-16(6-10-18)15-21-22-20(23)17-7-11-19(12-8-17)25-14-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)/b21-15+.
What are the key properties of 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 340.42 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 133169717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).