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

C22H26N2O2 — CID 53099310

IUPAC3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNC(=O)CC(C)C)cc21
InChIInChI=1S/C22H26N2O2/c1-15(2)12-21(25)23-14-17-8-9-18-10-11-24(20(18)13-17)22(26)19-7-5-4-6-16(19)3/h4-9,13,15H,10-12,14H2,1-3H3,(H,23,25)
InChIKeyBRBDYHMKDANWIU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.86
Rot. Bonds5

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

3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide (PubChem CID 53099310) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
PubChem CID53099310
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNC(=O)CC(C)C)cc21
InChIInChI=1S/C22H26N2O2/c1-15(2)12-21(25)23-14-17-8-9-18-10-11-24(20(18)13-17)22(26)19-7-5-4-6-16(19)3/h4-9,13,15H,10-12,14H2,1-3H3,(H,23,25)
InChIKeyBRBDYHMKDANWIU-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
CID 53099323
2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102547
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102552
3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102553
5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102558
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
CID 53099492
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093940
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-fluorobenzamide
CID 53099088

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide?
The IUPAC name of 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide (CID 53099310) is 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide?
The canonical SMILES for 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide is Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)CC(C)C)cc21.
What is the InChIKey of 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide?
The InChIKey is BRBDYHMKDANWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)12-21(25)23-14-17-8-9-18-10-11-24(20(18)13-17)22(26)19-7-5-4-6-16(19)3/h4-9,13,15H,10-12,14H2,1-3H3,(H,23,25).
What are the key properties of 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide?
3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide has a molecular weight of 350.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide is sourced from PubChem (CID 53099310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).