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

C23H28N2O2 — CID 10428878

IUPAC[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
SMILESCCN(CC)CCn1c(C)c(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-5-24(6-2)15-16-25-17(3)22(20-9-7-8-10-21(20)25)23(26)18-11-13-19(27-4)14-12-18/h7-14H,5-6,15-16H2,1-4H3
InChIKeyBLHMQESHQFNXCK-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.53
Rot. Bonds8

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

[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 10428878) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID10428878
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
SMILESCCN(CC)CCn1c(C)c(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-5-24(6-2)15-16-25-17(3)22(20-9-7-8-10-21(20)25)23(26)18-11-13-19(27-4)14-12-18/h7-14H,5-6,15-16H2,1-4H3
InChIKeyBLHMQESHQFNXCK-UHFFFAOYSA-N
XLogP4.53
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone (CID 10428878) is [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone is CCN(CC)CCn1c(C)c(C(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is BLHMQESHQFNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-5-24(6-2)15-16-25-17(3)22(20-9-7-8-10-21(20)25)23(26)18-11-13-19(27-4)14-12-18/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 364.49 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10428878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).