[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

C23H26N2O2 — CID 70686768

IUPAC[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCCn1cc(C2CCN(C(=O)c3ccc(OC)cc3C)C2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-4-24-15-21(20-7-5-6-8-22(20)24)17-11-12-25(14-17)23(26)19-10-9-18(27-3)13-16(19)2/h5-10,13,15,17H,4,11-12,14H2,1-3H3
InChIKeyZCUUJRXBURNUGR-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.61
Rot. Bonds4

About [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 70686768) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID70686768
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCCn1cc(C2CCN(C(=O)c3ccc(OC)cc3C)C2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-4-24-15-21(20-7-5-6-8-22(20)24)17-11-12-25(14-17)23(26)19-10-9-18(27-3)13-16(19)2/h5-10,13,15,17H,4,11-12,14H2,1-3H3
InChIKeyZCUUJRXBURNUGR-UHFFFAOYSA-N
XLogP4.61
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (CID 70686768) is [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is CCn1cc(C2CCN(C(=O)c3ccc(OC)cc3C)C2)c2ccccc21.
What is the InChIKey of [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is ZCUUJRXBURNUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-24-15-21(20-7-5-6-8-22(20)24)17-11-12-25(14-17)23(26)19-10-9-18(27-3)13-16(19)2/h5-10,13,15,17H,4,11-12,14H2,1-3H3.
What are the key properties of [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 362.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylindol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 70686768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).