2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

C17H26N2O2 — CID 82258026

IUPAC2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C17H26N2O2/c1-4-21-9-5-8-18-13(3)17(20)14-6-7-16-15(11-14)10-12(2)19-16/h6-7,11-13,18-19H,4-5,8-10H2,1-3H3
InChIKeyOECRRTKYMGMFEZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds8

About 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (PubChem CID 82258026) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
PubChem CID82258026
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C17H26N2O2/c1-4-21-9-5-8-18-13(3)17(20)14-6-7-16-15(11-14)10-12(2)19-16/h6-7,11-13,18-19H,4-5,8-10H2,1-3H3
InChIKeyOECRRTKYMGMFEZ-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258040
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258024
2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256439
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256446
1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100560
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
4-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]butanoic acid
CID 82257813
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (CID 82258026) is 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is CCOCCCNC(C)C(=O)c1ccc2c(c1)CC(C)N2.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The InChIKey is OECRRTKYMGMFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-9-5-8-18-13(3)17(20)14-6-7-16-15(11-14)10-12(2)19-16/h6-7,11-13,18-19H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 82258026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).