2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide

C24H29N3O — CID 59014329

IUPAC2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCc1ccc(-c2ccc3ccn(CC(=O)NC(C)CN4CCCC4)c3c2)cc1
InChIInChI=1S/C24H29N3O/c1-18-5-7-20(8-6-18)22-10-9-21-11-14-27(23(21)15-22)17-24(28)25-19(2)16-26-12-3-4-13-26/h5-11,14-15,19H,3-4,12-13,16-17H2,1-2H3,(H,25,28)
InChIKeyNWCIDQBNXOTLLY-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.22
Rot. Bonds6

About 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide

2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide (PubChem CID 59014329) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
PubChem CID59014329
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCc1ccc(-c2ccc3ccn(CC(=O)NC(C)CN4CCCC4)c3c2)cc1
InChIInChI=1S/C24H29N3O/c1-18-5-7-20(8-6-18)22-10-9-21-11-14-27(23(21)15-22)17-24(28)25-19(2)16-26-12-3-4-13-26/h5-11,14-15,19H,3-4,12-13,16-17H2,1-2H3,(H,25,28)
InChIKeyNWCIDQBNXOTLLY-UHFFFAOYSA-N
XLogP4.22
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
CID 68709137
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
CID 61490204
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 47070914
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide (CID 59014329) is 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide is Cc1ccc(-c2ccc3ccn(CC(=O)NC(C)CN4CCCC4)c3c2)cc1.
What is the InChIKey of 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The InChIKey is NWCIDQBNXOTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-5-7-20(8-6-18)22-10-9-21-11-14-27(23(21)15-22)17-24(28)25-19(2)16-26-12-3-4-13-26/h5-11,14-15,19H,3-4,12-13,16-17H2,1-2H3,(H,25,28).
What are the key properties of 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 59014329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).