2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide

C18H16N2O4 — CID 964213

IUPAC2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
SMILESCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(N)=O
InChIInChI=1S/C18H16N2O4/c1-23-16-9-11(6-7-15(16)24-10-17(19)21)8-13-12-4-2-3-5-14(12)20-18(13)22/h2-9H,10H2,1H3,(H2,19,21)(H,20,22)/b13-8+
InChIKeyHOHXTEKWKMMSFI-MDWZMJQESA-N
MW324.34 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide

2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide (PubChem CID 964213) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
PubChem CID964213
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
SMILESCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(N)=O
InChIInChI=1S/C18H16N2O4/c1-23-16-9-11(6-7-15(16)24-10-17(19)21)8-13-12-4-2-3-5-14(12)20-18(13)22/h2-9H,10H2,1H3,(H2,19,21)(H,20,22)/b13-8+
InChIKeyHOHXTEKWKMMSFI-MDWZMJQESA-N
XLogP2.05
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.05
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

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 1304469
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 697105
2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 3369725
ethyl 2-[2-chloro-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetate
CID 126117601
2-[4-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 4053161
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]isoquinoline-1,3-dione
CID 37346306
(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947880
2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 19578363
(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
CID 2542406

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide (CID 964213) is 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide is COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
The InChIKey is HOHXTEKWKMMSFI-MDWZMJQESA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-16-9-11(6-7-15(16)24-10-17(19)21)8-13-12-4-2-3-5-14(12)20-18(13)22/h2-9H,10H2,1H3,(H2,19,21)(H,20,22)/b13-8+.
What are the key properties of 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 964213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).