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

C25H29N3O6 — CID 162672252

IUPAC3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide
SMILESCOc1cc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc(OC)c1OC
InChIInChI=1S/C25H29N3O6/c1-31-21-13-16(14-22(32-2)24(21)33-3)12-19-18-15-17(4-5-20(18)27-25(19)30)26-23(29)6-7-28-8-10-34-11-9-28/h4-5,12-15H,6-11H2,1-3H3,(H,26,29)(H,27,30)/b19-12+
InChIKeyISIGDXSTQYFFDW-XDHOZWIPSA-N
MW467.52 g/mol
LogP2.87
Rot. Bonds8

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

3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide (PubChem CID 162672252) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide
PubChem CID162672252
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide
SMILESCOc1cc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc(OC)c1OC
InChIInChI=1S/C25H29N3O6/c1-31-21-13-16(14-22(32-2)24(21)33-3)12-19-18-15-17(4-5-20(18)27-25(19)30)26-23(29)6-7-28-8-10-34-11-9-28/h4-5,12-15H,6-11H2,1-3H3,(H,26,29)(H,27,30)/b19-12+
InChIKeyISIGDXSTQYFFDW-XDHOZWIPSA-N
XLogP2.87
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
CID 162649624
N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
CID 155758920
N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 162657880
N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 146036435
(3Z)-5-(furan-2-ylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 155540289
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049
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
N-[(3E)-3-(1-benzothiophen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 177044482
N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide
CID 66612529
(3E)-5-bromo-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 22500316
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 43039682

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide (CID 162672252) is 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide is COc1cc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc(OC)c1OC.
What is the InChIKey of 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide?
The InChIKey is ISIGDXSTQYFFDW-XDHOZWIPSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-31-21-13-16(14-22(32-2)24(21)33-3)12-19-18-15-17(4-5-20(18)27-25(19)30)26-23(29)6-7-28-8-10-34-11-9-28/h4-5,12-15H,6-11H2,1-3H3,(H,26,29)(H,27,30)/b19-12+.
What are the key properties of 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide?
3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide has a molecular weight of 467.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]propanamide is sourced from PubChem (CID 162672252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).