2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone

C21H24N2O2 — CID 42916880

IUPAC2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCCOCCCNC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-25-14-8-13-22-20(16-9-4-3-5-10-16)21(24)18-15-23-19-12-7-6-11-17(18)19/h3-7,9-12,15,20,22-23H,2,8,13-14H2,1H3
InChIKeyJJMJTYBAIZRVIA-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.11
Rot. Bonds9

About 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone

2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 42916880) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID42916880
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCCOCCCNC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-25-14-8-13-22-20(16-9-4-3-5-10-16)21(24)18-15-23-19-12-7-6-11-17(18)19/h3-7,9-12,15,20,22-23H,2,8,13-14H2,1H3
InChIKeyJJMJTYBAIZRVIA-UHFFFAOYSA-N
XLogP4.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 139422950
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
CID 139422871
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile
CID 84817476
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone (CID 42916880) is 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone is CCOCCCNC(C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is JJMJTYBAIZRVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-25-14-8-13-22-20(16-9-4-3-5-10-16)21(24)18-15-23-19-12-7-6-11-17(18)19/h3-7,9-12,15,20,22-23H,2,8,13-14H2,1H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone?
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone has a molecular weight of 336.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 42916880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).