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

C22H28N2O4 — CID 126322648

IUPAC3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)c(OCC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-13-27-19-10-7-17(8-11-19)16-23-24-22(25)18-9-12-20(28-14-5-2)21(15-18)26-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25)/b23-16+
InChIKeyYJFBPFJLQZENIO-XQNSMLJCSA-N
MW384.48 g/mol
LogP4.43
Rot. Bonds11

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

3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide (PubChem CID 126322648) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
PubChem CID126322648
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)c(OCC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-13-27-19-10-7-17(8-11-19)16-23-24-22(25)18-9-12-20(28-14-5-2)21(15-18)26-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25)/b23-16+
InChIKeyYJFBPFJLQZENIO-XQNSMLJCSA-N
XLogP4.43
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.43
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

3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126326713
ethyl 2-[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 92659149
[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6114040
3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126336930
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 92659154
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide (CID 126322648) is 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide is CCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)c(OCC)c2)cc1.
What is the InChIKey of 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is YJFBPFJLQZENIO-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-13-27-19-10-7-17(8-11-19)16-23-24-22(25)18-9-12-20(28-14-5-2)21(15-18)26-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25)/b23-16+.
What are the key properties of 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide?
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126322648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).