N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

C24H27N3O3 — CID 2005573

IUPACN-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)/C(=C\c1cn(C)c2ccccc12)NC(=O)c1ccccc1OC
InChIInChI=1S/C24H27N3O3/c1-5-27(6-2)24(29)20(25-23(28)19-12-8-10-14-22(19)30-4)15-17-16-26(3)21-13-9-7-11-18(17)21/h7-16H,5-6H2,1-4H3,(H,25,28)/b20-15+
InChIKeyBDZVVSKSDGPEGC-HMMYKYKNSA-N
MW405.50 g/mol
LogP3.83
Rot. Bonds7

About N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (PubChem CID 2005573) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
PubChem CID2005573
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)/C(=C\c1cn(C)c2ccccc12)NC(=O)c1ccccc1OC
InChIInChI=1S/C24H27N3O3/c1-5-27(6-2)24(29)20(25-23(28)19-12-8-10-14-22(19)30-4)15-17-16-26(3)21-13-9-7-11-18(17)21/h7-16H,5-6H2,1-4H3,(H,25,28)/b20-15+
InChIKeyBDZVVSKSDGPEGC-HMMYKYKNSA-N
XLogP3.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262137
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149
N-[3-[2-(diethylamino)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3887374
N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262150
N-[(Z)-3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262195
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]-2-methoxybenzamide
CID 46262037
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 24791588
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)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262042
N-[1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3615880
N-[3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 3750925
N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3101414

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (CID 2005573) is N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is CCN(CC)C(=O)/C(=C\c1cn(C)c2ccccc12)NC(=O)c1ccccc1OC.
What is the InChIKey of N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The InChIKey is BDZVVSKSDGPEGC-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-27(6-2)24(29)20(25-23(28)19-12-8-10-14-22(19)30-4)15-17-16-26(3)21-13-9-7-11-18(17)21/h7-16H,5-6H2,1-4H3,(H,25,28)/b20-15+.
What are the key properties of N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide has a molecular weight of 405.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 2005573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).