N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide

C20H20N2O5 — CID 155758920

IUPACN-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
SMILESCOc1cc(C=C2C(=O)Nc3ccc(NC(C)=O)cc32)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5/c1-11(23)21-13-5-6-16-14(10-13)15(20(24)22-16)7-12-8-17(25-2)19(27-4)18(9-12)26-3/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyVIEPPENHRPHOFP-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.16
Rot. Bonds5

About N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide

N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide (PubChem CID 155758920) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
PubChem CID155758920
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
SMILESCOc1cc(C=C2C(=O)Nc3ccc(NC(C)=O)cc32)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5/c1-11(23)21-13-5-6-16-14(10-13)15(20(24)22-16)7-12-8-17(25-2)19(27-4)18(9-12)26-3/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyVIEPPENHRPHOFP-UHFFFAOYSA-N
XLogP3.16
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049
3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide
CID 162672252
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235
(3Z)-5-(furan-2-ylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 155540289
6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide
CID 158270852
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57294666
N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide
CID 22500237
5-bromo-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 1228781
N-[(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
CID 162649624
(3E)-5-chloro-3-[(E)-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enylidene]-1H-indol-2-one
CID 74221211
(3E)-3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 6091635

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide?
The IUPAC name of N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide (CID 155758920) is N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide is COc1cc(C=C2C(=O)Nc3ccc(NC(C)=O)cc32)cc(OC)c1OC.
What is the InChIKey of N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide?
The InChIKey is VIEPPENHRPHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-11(23)21-13-5-6-16-14(10-13)15(20(24)22-16)7-12-8-17(25-2)19(27-4)18(9-12)26-3/h5-10H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide?
N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide is sourced from PubChem (CID 155758920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).