[1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone

C21H24N2O2 — CID 10449678

IUPAC[1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H24N2O2/c1-15-20(21(24)16-9-11-17(25-4)12-10-16)18-7-5-6-8-19(18)23(15)14-13-22(2)3/h5-12H,13-14H2,1-4H3
InChIKeyVFCUUSNKRCHQNK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.75
Rot. Bonds6

About [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone

[1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 10449678) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID10449678
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name[1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H24N2O2/c1-15-20(21(24)16-9-11-17(25-4)12-10-16)18-7-5-6-8-19(18)23(15)14-13-22(2)3/h5-12H,13-14H2,1-4H3
InChIKeyVFCUUSNKRCHQNK-UHFFFAOYSA-N
XLogP3.75
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone (CID 10449678) is [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)n(CCN(C)C)c3ccccc23)cc1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VFCUUSNKRCHQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-20(21(24)16-9-11-17(25-4)12-10-16)18-7-5-6-8-19(18)23(15)14-13-22(2)3/h5-12H,13-14H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
[1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10449678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).