2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide

C26H24N2O4 — CID 1304469

IUPAC2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C26H24N2O4/c1-17(19-8-4-3-5-9-19)27-25(29)16-32-23-13-12-18(15-24(23)31-2)14-21-20-10-6-7-11-22(20)28-26(21)30/h3-15,17H,16H2,1-2H3,(H,27,29)(H,28,30)/b21-14-/t17-/m0/s1
InChIKeyFYEJKQDFPYZNNR-XESZTULISA-N
MW428.49 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide

2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 1304469) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID1304469
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C26H24N2O4/c1-17(19-8-4-3-5-9-19)27-25(29)16-32-23-13-12-18(15-24(23)31-2)14-21-20-10-6-7-11-22(20)28-26(21)30/h3-15,17H,16H2,1-2H3,(H,27,29)(H,28,30)/b21-14-/t17-/m0/s1
InChIKeyFYEJKQDFPYZNNR-XESZTULISA-N
XLogP4.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7611853
N-benzyl-2-[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 1020513
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
2-[4-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 4053161
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
2-[2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
CID 2864312
methyl (2R)-2-(chloroamino)-3-[4-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]propanoate
CID 89220545
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]isoquinoline-1,3-dione
CID 37346306

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide (CID 1304469) is 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide is COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is FYEJKQDFPYZNNR-XESZTULISA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17(19-8-4-3-5-9-19)27-25(29)16-32-23-13-12-18(15-24(23)31-2)14-21-20-10-6-7-11-22(20)28-26(21)30/h3-15,17H,16H2,1-2H3,(H,27,29)(H,28,30)/b21-14-/t17-/m0/s1.
What are the key properties of 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide?
2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 1304469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).