3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide

C21H24N2O2 — CID 113085675

IUPAC3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H24N2O2/c1-14-19(17-10-5-6-11-18(17)23-14)21(2,3)13-22-20(24)15-8-7-9-16(12-15)25-4/h5-12,23H,13H2,1-4H3,(H,22,24)
InChIKeyZMRATSYHRLXQKL-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.19
Rot. Bonds5

About 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide

3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide (PubChem CID 113085675) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
PubChem CID113085675
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H24N2O2/c1-14-19(17-10-5-6-11-18(17)23-14)21(2,3)13-22-20(24)15-8-7-9-16(12-15)25-4/h5-12,23H,13H2,1-4H3,(H,22,24)
InChIKeyZMRATSYHRLXQKL-UHFFFAOYSA-N
XLogP4.19
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882408
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide (CID 113085675) is 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide is COc1cccc(C(=O)NCC(C)(C)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
The InChIKey is ZMRATSYHRLXQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-19(17-10-5-6-11-18(17)23-14)21(2,3)13-22-20(24)15-8-7-9-16(12-15)25-4/h5-12,23H,13H2,1-4H3,(H,22,24).
What are the key properties of 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide is sourced from PubChem (CID 113085675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).