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

C21H24N2O — CID 113085684

IUPACN-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O/c1-15-20(17-11-7-8-12-18(17)23-15)21(2,3)14-22-19(24)13-16-9-5-4-6-10-16/h4-12,23H,13-14H2,1-3H3,(H,22,24)
InChIKeyHVRADNJWBYDXAL-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide (PubChem CID 113085684) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
PubChem CID113085684
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O/c1-15-20(17-11-7-8-12-18(17)23-15)21(2,3)14-22-19(24)13-16-9-5-4-6-10-16/h4-12,23H,13-14H2,1-3H3,(H,22,24)
InChIKeyHVRADNJWBYDXAL-UHFFFAOYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide?
The IUPAC name of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide (CID 113085684) is N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide?
The canonical SMILES for N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide is Cc1[nH]c2ccccc2c1C(C)(C)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide?
The InChIKey is HVRADNJWBYDXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15-20(17-11-7-8-12-18(17)23-15)21(2,3)14-22-19(24)13-16-9-5-4-6-10-16/h4-12,23H,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide?
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide has a molecular weight of 320.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 113085684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).