[2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone

C24H27NO4 — CID 22491198

IUPAC[2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1cc2cc(C3CC3C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2n1C
InChIInChI=1S/C24H27NO4/c1-6-17-10-15-9-14(7-8-20(15)25(17)2)18-13-19(18)23(26)16-11-21(27-3)24(29-5)22(12-16)28-4/h7-12,18-19H,6,13H2,1-5H3
InChIKeyJMFIWCIMBQHFCE-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.75
Rot. Bonds7

About [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone

[2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 22491198) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID22491198
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name[2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1cc2cc(C3CC3C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2n1C
InChIInChI=1S/C24H27NO4/c1-6-17-10-15-9-14(7-8-20(15)25(17)2)18-13-19(18)23(26)16-11-21(27-3)24(29-5)22(12-16)28-4/h7-12,18-19H,6,13H2,1-5H3
InChIKeyJMFIWCIMBQHFCE-UHFFFAOYSA-N
XLogP4.75
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491270
[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491332
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71028644
[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10025797
[5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 72743737
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110292317
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate
CID 147114747
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone (CID 22491198) is [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone is CCc1cc2cc(C3CC3C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2n1C.
What is the InChIKey of [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JMFIWCIMBQHFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-6-17-10-15-9-14(7-8-20(15)25(17)2)18-13-19(18)23(26)16-11-21(27-3)24(29-5)22(12-16)28-4/h7-12,18-19H,6,13H2,1-5H3.
What are the key properties of [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 393.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 22491198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).