N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

C25H27N3O4 — CID 46262150

IUPACN-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C25H27N3O4/c1-3-27-17-18(19-8-4-6-10-22(19)27)16-21(25(30)28-12-14-32-15-13-28)26-24(29)20-9-5-7-11-23(20)31-2/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)/b21-16-
InChIKeyRVIGANNCIZDIEU-PGMHBOJBSA-N
MW433.51 g/mol
LogP3.30
Rot. Bonds6

About N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (PubChem CID 46262150) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
PubChem CID46262150
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C25H27N3O4/c1-3-27-17-18(19-8-4-6-10-22(19)27)16-21(25(30)28-12-14-32-15-13-28)26-24(29)20-9-5-7-11-23(20)31-2/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)/b21-16-
InChIKeyRVIGANNCIZDIEU-PGMHBOJBSA-N
XLogP3.30
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (CID 46262150) is N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The InChIKey is RVIGANNCIZDIEU-PGMHBOJBSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-27-17-18(19-8-4-6-10-22(19)27)16-21(25(30)28-12-14-32-15-13-28)26-24(29)20-9-5-7-11-23(20)31-2/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)/b21-16-.
What are the key properties of N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide has a molecular weight of 433.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 46262150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).