N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide

C21H23N3O5 — CID 2533228

IUPACN-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide
SMILESCCCN1C(=O)C(=NOCC(=O)Nc2cc(OC)cc(OC)c2)c2ccccc21
InChIInChI=1S/C21H23N3O5/c1-4-9-24-18-8-6-5-7-17(18)20(21(24)26)23-29-13-19(25)22-14-10-15(27-2)12-16(11-14)28-3/h5-8,10-12H,4,9,13H2,1-3H3,(H,22,25)
InChIKeyYVYKRUHWWGVWPE-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.82
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide

N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide (PubChem CID 2533228) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide
PubChem CID2533228
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide
SMILESCCCN1C(=O)C(=NOCC(=O)Nc2cc(OC)cc(OC)c2)c2ccccc21
InChIInChI=1S/C21H23N3O5/c1-4-9-24-18-8-6-5-7-17(18)20(21(24)26)23-29-13-19(25)22-14-10-15(27-2)12-16(11-14)28-3/h5-8,10-12H,4,9,13H2,1-3H3,(H,22,25)
InChIKeyYVYKRUHWWGVWPE-UHFFFAOYSA-N
XLogP2.82
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide
CID 6907176
N-(3,5-dimethoxyphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide
CID 20948659
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804539
[2-(3-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554588
2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 4312042
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 2708454
methyl 2-[4-[(Z)-(2-oxo-1-propylindol-3-ylidene)methyl]phenoxy]acetate
CID 126125266
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 30394539
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626992
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide (CID 2533228) is N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide is CCCN1C(=O)C(=NOCC(=O)Nc2cc(OC)cc(OC)c2)c2ccccc21.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide?
The InChIKey is YVYKRUHWWGVWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-4-9-24-18-8-6-5-7-17(18)20(21(24)26)23-29-13-19(25)22-14-10-15(27-2)12-16(11-14)28-3/h5-8,10-12H,4,9,13H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide?
N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide has a molecular weight of 397.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(2-oxo-1-propylindol-3-ylidene)amino]oxyacetamide is sourced from PubChem (CID 2533228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).