3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide

C25H24N2O3 — CID 53093620

IUPAC3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-17-6-9-19(10-7-17)25(29)27-13-12-20-14-18(8-11-23(20)27)16-26-24(28)21-4-3-5-22(15-21)30-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyIRMCIXWSKUAIGU-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.14
Rot. Bonds5

About 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide

3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide (PubChem CID 53093620) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
PubChem CID53093620
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-17-6-9-19(10-7-17)25(29)27-13-12-20-14-18(8-11-23(20)27)16-26-24(28)21-4-3-5-22(15-21)30-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyIRMCIXWSKUAIGU-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580537
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
CID 53093735
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide (CID 53093620) is 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide is COc1cccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The InChIKey is IRMCIXWSKUAIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-6-9-19(10-7-17)25(29)27-13-12-20-14-18(8-11-23(20)27)16-26-24(28)21-4-3-5-22(15-21)30-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28).
What are the key properties of 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide is sourced from PubChem (CID 53093620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).