4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide

C19H22N2O3 — CID 17246375

IUPAC4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-3-12-24-18-7-5-6-15(13-18)14-20-21-19(22)16-8-10-17(11-9-16)23-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,21,22)/b20-14+
InChIKeyNXEOMJJCYHHQCI-XSFVSMFZSA-N
MW326.40 g/mol
LogP3.64
Rot. Bonds8

About 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide

4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (PubChem CID 17246375) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
PubChem CID17246375
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-3-12-24-18-7-5-6-15(13-18)14-20-21-19(22)16-8-10-17(11-9-16)23-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,21,22)/b20-14+
InChIKeyNXEOMJJCYHHQCI-XSFVSMFZSA-N
XLogP3.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.64
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

ethyl 2-[3-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 17246379
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6114040
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 6082472
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3742619

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (CID 17246375) is 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is CCCOc1cccc(/C=N/NC(=O)c2ccc(OCC)cc2)c1.
What is the InChIKey of 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is NXEOMJJCYHHQCI-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-12-24-18-7-5-6-15(13-18)14-20-21-19(22)16-8-10-17(11-9-16)23-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,21,22)/b20-14+.
What are the key properties of 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 17246375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).