N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide

C22H27N3O — CID 68709137

IUPACN-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
SMILESCc1ccc(-c2ccc3ccn(CC(=O)NC(C)CN(C)C)c3c2)cc1
InChIInChI=1S/C22H27N3O/c1-16-5-7-18(8-6-16)20-10-9-19-11-12-25(21(19)13-20)15-22(26)23-17(2)14-24(3)4/h5-13,17H,14-15H2,1-4H3,(H,23,26)
InChIKeyJXSKBNYIQNWGSP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.68
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide

N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide (PubChem CID 68709137) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
PubChem CID68709137
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
SMILESCc1ccc(-c2ccc3ccn(CC(=O)NC(C)CN(C)C)c3c2)cc1
InChIInChI=1S/C22H27N3O/c1-16-5-7-18(8-6-16)20-10-9-19-11-12-25(21(19)13-20)15-22(26)23-17(2)14-24(3)4/h5-13,17H,14-15H2,1-4H3,(H,23,26)
InChIKeyJXSKBNYIQNWGSP-UHFFFAOYSA-N
XLogP3.68
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 59014329
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,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide (CID 68709137) is N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide is Cc1ccc(-c2ccc3ccn(CC(=O)NC(C)CN(C)C)c3c2)cc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
The InChIKey is JXSKBNYIQNWGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-5-7-18(8-6-16)20-10-9-19-11-12-25(21(19)13-20)15-22(26)23-17(2)14-24(3)4/h5-13,17H,14-15H2,1-4H3,(H,23,26).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide is sourced from PubChem (CID 68709137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).