N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide

C21H24N2O2 — CID 122192200

IUPACN-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-14(2)16-10-8-15(9-11-16)12-20(24)23-18-7-5-4-6-17(18)13-19(23)21(25)22-3/h4-11,14,19H,12-13H2,1-3H3,(H,22,25)
InChIKeySZWUVKZOHSWLIH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide

N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 122192200) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide
PubChem CID122192200
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-14(2)16-10-8-15(9-11-16)12-20(24)23-18-7-5-4-6-17(18)13-19(23)21(25)22-3/h4-11,14,19H,12-13H2,1-3H3,(H,22,25)
InChIKeySZWUVKZOHSWLIH-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide (CID 122192200) is N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is SZWUVKZOHSWLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(2)16-10-8-15(9-11-16)12-20(24)23-18-7-5-4-6-17(18)13-19(23)21(25)22-3/h4-11,14,19H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide?
N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 122192200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).