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

C28H34N4O4 — CID 24793675

IUPACN-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C28H34N4O4/c1-3-32-20-21(22-9-4-6-11-25(22)32)19-24(30-27(33)23-10-5-7-12-26(23)35-2)28(34)29-13-8-14-31-15-17-36-18-16-31/h4-7,9-12,19-20H,3,8,13-18H2,1-2H3,(H,29,34)(H,30,33)/b24-19-
InChIKeyDAMHOYUQIWGJFB-CLCOLTQESA-N
MW490.60 g/mol
LogP3.28
Rot. Bonds10

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

N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (PubChem CID 24793675) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
PubChem CID24793675
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C28H34N4O4/c1-3-32-20-21(22-9-4-6-11-25(22)32)19-24(30-27(33)23-10-5-7-12-26(23)35-2)28(34)29-13-8-14-31-15-17-36-18-16-31/h4-7,9-12,19-20H,3,8,13-18H2,1-2H3,(H,29,34)(H,30,33)/b24-19-
InChIKeyDAMHOYUQIWGJFB-CLCOLTQESA-N
XLogP3.28
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (CID 24793675) is N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)NCCCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The InChIKey is DAMHOYUQIWGJFB-CLCOLTQESA-N. The full InChI is InChI=1S/C28H34N4O4/c1-3-32-20-21(22-9-4-6-11-25(22)32)19-24(30-27(33)23-10-5-7-12-26(23)35-2)28(34)29-13-8-14-31-15-17-36-18-16-31/h4-7,9-12,19-20H,3,8,13-18H2,1-2H3,(H,29,34)(H,30,33)/b24-19-.
What are the key properties of N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide has a molecular weight of 490.60 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 24793675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).