4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide

C26H23N3O3 — CID 172948018

IUPAC4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H23N3O3/c1-32-20-13-11-18(12-14-20)24(30)15-16-25(31)29-27-17-22-21-9-5-6-10-23(21)28-26(22)19-7-3-2-4-8-19/h2-14,17,28H,15-16H2,1H3,(H,29,31)/b27-17+
InChIKeyYFDPRZMCVRTNTK-WPWMEQJKSA-N
MW425.49 g/mol
LogP4.96
Rot. Bonds8

About 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide

4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide (PubChem CID 172948018) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
PubChem CID172948018
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H23N3O3/c1-32-20-13-11-18(12-14-20)24(30)15-16-25(31)29-27-17-22-21-9-5-6-10-23(21)28-26(22)19-7-3-2-4-8-19/h2-14,17,28H,15-16H2,1H3,(H,29,31)/b27-17+
InChIKeyYFDPRZMCVRTNTK-WPWMEQJKSA-N
XLogP4.96
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
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

3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 137166777
4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135614167
(2E)-5-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734157
2-(4-methoxyanilino)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 136899315
2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135674723
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4854849
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135620342
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135776758
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide (CID 172948018) is 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide is COc1ccc(C(=O)CCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide?
The InChIKey is YFDPRZMCVRTNTK-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-32-20-13-11-18(12-14-20)24(30)15-16-25(31)29-27-17-22-21-9-5-6-10-23(21)28-26(22)19-7-3-2-4-8-19/h2-14,17,28H,15-16H2,1H3,(H,29,31)/b27-17+.
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide?
4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide has a molecular weight of 425.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide is sourced from PubChem (CID 172948018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).