N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide

C27H26N4O3 — CID 166355298

IUPACN-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide
SMILESCNC(=O)CNC(=O)c1cccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C27H26N4O3/c1-28-25(33)17-29-27(34)19-10-7-11-20(16-19)30-24(32)15-14-22-21-12-5-6-13-23(21)31-26(22)18-8-3-2-4-9-18/h2-13,16,31H,14-15,17H2,1H3,(H,28,33)(H,29,34)(H,30,32)
InChIKeyMWLFOGSRIXYEPT-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.88
Rot. Bonds8

About N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide

N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide (PubChem CID 166355298) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide
PubChem CID166355298
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide
SMILESCNC(=O)CNC(=O)c1cccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C27H26N4O3/c1-28-25(33)17-29-27(34)19-10-7-11-20(16-19)30-24(32)15-14-22-21-12-5-6-13-23(21)31-26(22)18-8-3-2-4-9-18/h2-13,16,31H,14-15,17H2,1H3,(H,28,33)(H,29,34)(H,30,32)
InChIKeyMWLFOGSRIXYEPT-UHFFFAOYSA-N
XLogP3.88
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 167983854
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 27772937
N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 26689901
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825883
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide (CID 166355298) is N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide is CNC(=O)CNC(=O)c1cccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide?
The InChIKey is MWLFOGSRIXYEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-28-25(33)17-29-27(34)19-10-7-11-20(16-19)30-24(32)15-14-22-21-12-5-6-13-23(21)31-26(22)18-8-3-2-4-9-18/h2-13,16,31H,14-15,17H2,1H3,(H,28,33)(H,29,34)(H,30,32).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide?
N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide has a molecular weight of 454.53 g/mol, XLogP of 3.88, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 166355298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).