N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide

C24H20N2O3 — CID 22500237

IUPACN-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide
SMILESCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C24H20N2O3/c1-15(27)25-18-7-5-6-17(14-18)20-12-16(10-11-23(20)29-2)13-21-19-8-3-4-9-22(19)26-24(21)28/h3-14H,1-2H3,(H,25,27)(H,26,28)/b21-13+
InChIKeyQSKMDCLLEZHZOK-FYJGNVAPSA-N
MW384.44 g/mol
LogP4.81
Rot. Bonds4

About N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide

N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide (PubChem CID 22500237) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide
PubChem CID22500237
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide
SMILESCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C24H20N2O3/c1-15(27)25-18-7-5-6-17(14-18)20-12-16(10-11-23(20)29-2)13-21-19-8-3-4-9-22(19)26-24(21)28/h3-14H,1-2H3,(H,25,27)(H,26,28)/b21-13+
InChIKeyQSKMDCLLEZHZOK-FYJGNVAPSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 54410054
5-bromo-3-[(4-methoxy-3-phenylphenyl)methylidene]-1H-indol-2-one;1-methoxy-2-phenylbenzene
CID 70252141
N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
CID 155758920
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
methyl (2R)-2-(chloroamino)-3-[4-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]propanoate
CID 89220545
2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 1304469

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide (CID 22500237) is N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide is COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1-c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide?
The InChIKey is QSKMDCLLEZHZOK-FYJGNVAPSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-15(27)25-18-7-5-6-17(14-18)20-12-16(10-11-23(20)29-2)13-21-19-8-3-4-9-22(19)26-24(21)28/h3-14H,1-2H3,(H,25,27)(H,26,28)/b21-13+.
What are the key properties of N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide?
N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 22500237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).