N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide

C25H24N2O3 — CID 53099323

IUPACN-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNC(=O)COc3ccccc3)cc21
InChIInChI=1S/C25H24N2O3/c1-18-7-5-6-10-22(18)25(29)27-14-13-20-12-11-19(15-23(20)27)16-26-24(28)17-30-21-8-3-2-4-9-21/h2-12,15H,13-14,16-17H2,1H3,(H,26,28)
InChIKeyADTOJWVCDKDKAG-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.89
Rot. Bonds6

About N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide

N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide (PubChem CID 53099323) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
PubChem CID53099323
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNC(=O)COc3ccccc3)cc21
InChIInChI=1S/C25H24N2O3/c1-18-7-5-6-10-22(18)25(29)27-14-13-20-12-11-19(15-23(20)27)16-26-24(28)17-30-21-8-3-2-4-9-21/h2-12,15H,13-14,16-17H2,1H3,(H,26,28)
InChIKeyADTOJWVCDKDKAG-UHFFFAOYSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
CID 53099310
2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102547
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-phenoxyacetamide
CID 110780371
3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102552
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102558
3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102553
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
CID 53099481
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
CID 53043824
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide (CID 53099323) is N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide is Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)COc3ccccc3)cc21.
What is the InChIKey of N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide?
The InChIKey is ADTOJWVCDKDKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18-7-5-6-10-22(18)25(29)27-14-13-20-12-11-19(15-23(20)27)16-26-24(28)17-30-21-8-3-2-4-9-21/h2-12,15H,13-14,16-17H2,1H3,(H,26,28).
What are the key properties of N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide?
N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide has a molecular weight of 400.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 53099323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).