N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide

C25H23N3O4 — CID 171636455

IUPACN-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)C(CNC(=O)c1ccccc1)(NC(=O)c1ccccc1)C(=O)N2C
InChIInChI=1S/C25H23N3O4/c1-28-21-14-13-19(32-2)15-20(21)25(24(28)31,27-23(30)18-11-7-4-8-12-18)16-26-22(29)17-9-5-3-6-10-17/h3-15H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFBZPCZYYWIPQJI-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.73
Rot. Bonds6

About N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide

N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide (PubChem CID 171636455) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
PubChem CID171636455
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)C(CNC(=O)c1ccccc1)(NC(=O)c1ccccc1)C(=O)N2C
InChIInChI=1S/C25H23N3O4/c1-28-21-14-13-19(32-2)15-20(21)25(24(28)31,27-23(30)18-11-7-4-8-12-18)16-26-22(29)17-9-5-3-6-10-17/h3-15H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFBZPCZYYWIPQJI-UHFFFAOYSA-N
XLogP2.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1,3-dimethyl-2-oxoindol-3-yl]methyl]-4-methoxybenzamide
CID 139187913
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide
CID 11197628
methyl (3S,4S)-5'-methoxy-1'-methyl-2'-oxo-4-phenylspiro[cyclohexa-1,5-diene-3,3'-indole]-1-carboxylate
CID 122224990
N-(3-methoxyphenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764410
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
methyl (2'R,3S,3'S,4'S)-5-methoxy-1,4'-dimethyl-2-oxo-2'-phenylspiro[indole-3,5'-pyrrolidine]-3'-carboxylate
CID 138967187
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one
CID 101469005
(4-methoxyphenyl) 2-benzamidoacetate
CID 23275662

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide?
The IUPAC name of N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide (CID 171636455) is N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide?
The canonical SMILES for N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide is COc1ccc2c(c1)C(CNC(=O)c1ccccc1)(NC(=O)c1ccccc1)C(=O)N2C.
What is the InChIKey of N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide?
The InChIKey is FBZPCZYYWIPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-28-21-14-13-19(32-2)15-20(21)25(24(28)31,27-23(30)18-11-7-4-8-12-18)16-26-22(29)17-9-5-3-6-10-17/h3-15H,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide?
N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide is sourced from PubChem (CID 171636455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).