4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide

C20H23IN2O4 — CID 29148846

IUPAC4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C20H23IN2O4/c1-4-10-27-19-17(21)11-14(12-18(19)25-3)13-22-23-20(24)15-6-8-16(9-7-15)26-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)/b22-13-
InChIKeyXMPOWXZHLFDFHI-XKZIYDEJSA-N
MW482.32 g/mol
LogP4.25
Rot. Bonds9

About 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide

4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide (PubChem CID 29148846) has the molecular formula C20H23IN2O4 and a molecular weight of 482.32 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide
PubChem CID29148846
Molecular FormulaC20H23IN2O4
Molecular Weight482.32 g/mol
Exact Mass482.07
IUPAC Name4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C20H23IN2O4/c1-4-10-27-19-17(21)11-14(12-18(19)25-3)13-22-23-20(24)15-6-8-16(9-7-15)26-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)/b22-13-
InChIKeyXMPOWXZHLFDFHI-XKZIYDEJSA-N
XLogP4.25
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 126329810
3-ethoxy-N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126320076
N-[(Z)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659144
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-propoxybenzamide
CID 99945412
N-[(Z)-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659188
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 124537190
N-[[4-[2-(4-hexoxyphenoxy)ethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 4988986
4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110514915
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110507170
N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 99945386
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide (CID 29148846) is 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide is CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is XMPOWXZHLFDFHI-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23IN2O4/c1-4-10-27-19-17(21)11-14(12-18(19)25-3)13-22-23-20(24)15-6-8-16(9-7-15)26-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)/b22-13-.
What are the key properties of 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 482.32 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 29148846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).