3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

C25H27N3O5 — CID 3383337

IUPAC3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C25H27N3O5/c1-27-16-18(19-6-4-5-7-21(19)27)14-20(25(30)28-10-12-33-13-11-28)26-24(29)17-8-9-22(31-2)23(15-17)32-3/h4-9,14-16H,10-13H2,1-3H3,(H,26,29)
InChIKeyOPYMFQZBUFPGKU-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.83
Rot. Bonds6

About 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 3383337) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
PubChem CID3383337
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C25H27N3O5/c1-27-16-18(19-6-4-5-7-21(19)27)14-20(25(30)28-10-12-33-13-11-28)26-24(29)17-8-9-22(31-2)23(15-17)32-3/h4-9,14-16H,10-13H2,1-3H3,(H,26,29)
InChIKeyOPYMFQZBUFPGKU-UHFFFAOYSA-N
XLogP2.83
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 46262199
N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262150
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262181
N-[(Z)-3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262195
1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
N-[(Z)-1-(6-methoxy-2,3-diphenyl-1-benzofuran-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 12864632
3,4-dimethoxy-N-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4873734
3,4-dimethoxy-N-[(E)-3-(4-methylpiperazin-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 6046931
N-[3-[2-(diethylamino)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3887374
N-[1-(2-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 3114615
N-[3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 3750925
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (CID 3383337) is 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is COc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is OPYMFQZBUFPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-27-16-18(19-6-4-5-7-21(19)27)14-20(25(30)28-10-12-33-13-11-28)26-24(29)17-8-9-22(31-2)23(15-17)32-3/h4-9,14-16H,10-13H2,1-3H3,(H,26,29).
What are the key properties of 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3383337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).