cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone

C22H23NO2 — CID 5043390

IUPACcyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone
SMILESCc1ccc(OCCCn2cc(C(=O)C3CC3)c3ccccc32)cc1
InChIInChI=1S/C22H23NO2/c1-16-7-11-18(12-8-16)25-14-4-13-23-15-20(22(24)17-9-10-17)19-5-2-3-6-21(19)23/h2-3,5-8,11-12,15,17H,4,9-10,13-14H2,1H3
InChIKeyKPSLPBKWJBBHKF-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.01
Rot. Bonds7

About cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone

cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone (PubChem CID 5043390) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone
PubChem CID5043390
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Namecyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone
SMILESCc1ccc(OCCCn2cc(C(=O)C3CC3)c3ccccc32)cc1
InChIInChI=1S/C22H23NO2/c1-16-7-11-18(12-8-16)25-14-4-13-23-15-20(22(24)17-9-10-17)19-5-2-3-6-21(19)23/h2-3,5-8,11-12,15,17H,4,9-10,13-14H2,1H3
InChIKeyKPSLPBKWJBBHKF-UHFFFAOYSA-N
XLogP5.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone
CID 2213955
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
1-[3-(2,5-dimethylphenoxy)propyl]indole-3-carboxylic acid
CID 22332903
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
tert-butyl 1-[2-hydroxy-3-(4-methylphenoxy)propyl]indole-3-carboxylate
CID 70966463
1-[5-bromo-1-[3-(4-methylphenoxy)propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 46500454
[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11580465
1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575003

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone (CID 5043390) is cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone is Cc1ccc(OCCCn2cc(C(=O)C3CC3)c3ccccc32)cc1.
What is the InChIKey of cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone?
The InChIKey is KPSLPBKWJBBHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-7-11-18(12-8-16)25-14-4-13-23-15-20(22(24)17-9-10-17)19-5-2-3-6-21(19)23/h2-3,5-8,11-12,15,17H,4,9-10,13-14H2,1H3.
What are the key properties of cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone?
cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone is sourced from PubChem (CID 5043390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).