2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide

C21H26N2O — CID 125059686

IUPAC2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)c(C)c1
InChIInChI=1S/C21H26N2O/c1-15-9-10-19(16(2)13-15)21(24)22-11-6-12-23-17(3)14-18-7-4-5-8-20(18)23/h4-5,7-10,13,17H,6,11-12,14H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyFKXCYNCXQCXTJL-QGZVFWFLSA-N
MW322.45 g/mol
LogP3.87
Rot. Bonds5

About 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide

2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide (PubChem CID 125059686) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
PubChem CID125059686
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)c(C)c1
InChIInChI=1S/C21H26N2O/c1-15-9-10-19(16(2)13-15)21(24)22-11-6-12-23-17(3)14-18-7-4-5-8-20(18)23/h4-5,7-10,13,17H,6,11-12,14H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyFKXCYNCXQCXTJL-QGZVFWFLSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100614763
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
1-(3,5-dimethylphenyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]thiourea
CID 100739845
1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-3-(5-methyl-2-pyridinyl)thiourea
CID 125048128
5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
CID 60616291
2-methyl-N-[(Z)-3-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100743414
ethyl 3-methyl-4-[3-(2-methyl-2,3-dihydroindol-1-yl)propylcarbamothioylamino]benzoate
CID 133216906
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 133224681

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide (CID 125059686) is 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide is Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The InChIKey is FKXCYNCXQCXTJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-9-10-19(16(2)13-15)21(24)22-11-6-12-23-17(3)14-18-7-4-5-8-20(18)23/h4-5,7-10,13,17H,6,11-12,14H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide is sourced from PubChem (CID 125059686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).