N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide

C20H22N2O2 — CID 113084348

IUPACN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
SMILESCOc1ccc2[nH]cc(C(C)(C)CNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H22N2O2/c1-20(2,13-22-19(23)14-7-5-4-6-8-14)17-12-21-18-10-9-15(24-3)11-16(17)18/h4-12,21H,13H2,1-3H3,(H,22,23)
InChIKeyWEMZUBQQFWXDRN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide

N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide (PubChem CID 113084348) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
PubChem CID113084348
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
SMILESCOc1ccc2[nH]cc(C(C)(C)CNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H22N2O2/c1-20(2,13-22-19(23)14-7-5-4-6-8-14)17-12-21-18-10-9-15(24-3)11-16(17)18/h4-12,21H,13H2,1-3H3,(H,22,23)
InChIKeyWEMZUBQQFWXDRN-UHFFFAOYSA-N
XLogP3.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
CID 113084371
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084202
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085675
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
CID 113084219
2-(5-methoxy-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113210171
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide (CID 113084348) is N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide is COc1ccc2[nH]cc(C(C)(C)CNC(=O)c3ccccc3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide?
The InChIKey is WEMZUBQQFWXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(2,13-22-19(23)14-7-5-4-6-8-14)17-12-21-18-10-9-15(24-3)11-16(17)18/h4-12,21H,13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide?
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 113084348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).