4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide

C24H23N3O4 — CID 1274278

IUPAC4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H23N3O4/c1-3-30-23-15-19(26-17(2)28)12-13-22(23)24(29)27-25-16-18-8-7-11-21(14-18)31-20-9-5-4-6-10-20/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXMVIAJQHUQPPFO-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.60
Rot. Bonds8

About 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide

4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 1274278) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID1274278
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H23N3O4/c1-3-30-23-15-19(26-17(2)28)12-13-22(23)24(29)27-25-16-18-8-7-11-21(14-18)31-20-9-5-4-6-10-20/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXMVIAJQHUQPPFO-UHFFFAOYSA-N
XLogP4.60
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
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

N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94836303
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
5-bromo-2-ethoxy-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 71960212
2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
CID 19172252
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
N-(benzylideneamino)-2,4-dihexoxybenzamide
CID 162378074
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide (CID 1274278) is 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide is CCOc1cc(NC(C)=O)ccc1C(=O)NN=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is XMVIAJQHUQPPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-3-30-23-15-19(26-17(2)28)12-13-22(23)24(29)27-25-16-18-8-7-11-21(14-18)31-20-9-5-4-6-10-20/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 417.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1274278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).