1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one

C19H22N2O2 — CID 84758464

IUPAC1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one
SMILESCCc1ccc2c(c1)CC(=O)N2CCCOc1cccc(N)c1
InChIInChI=1S/C19H22N2O2/c1-2-14-7-8-18-15(11-14)12-19(22)21(18)9-4-10-23-17-6-3-5-16(20)13-17/h3,5-8,11,13H,2,4,9-10,12,20H2,1H3
InChIKeyZFZPDZJFTAGIFG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.19
Rot. Bonds6

About 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one

1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one (PubChem CID 84758464) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one
PubChem CID84758464
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one
SMILESCCc1ccc2c(c1)CC(=O)N2CCCOc1cccc(N)c1
InChIInChI=1S/C19H22N2O2/c1-2-14-7-8-18-15(11-14)12-19(22)21(18)9-4-10-23-17-6-3-5-16(20)13-17/h3,5-8,11,13H,2,4,9-10,12,20H2,1H3
InChIKeyZFZPDZJFTAGIFG-UHFFFAOYSA-N
XLogP3.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione
CID 43365706
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
5-ethyl-1-prop-2-ynyl-3H-indol-2-one
CID 84758468
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
4-[2-(3-aminophenoxy)ethyl]-1,4-benzoxazin-3-one
CID 43365763

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one?
The IUPAC name of 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one (CID 84758464) is 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one.
What is the SMILES notation for 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one?
The canonical SMILES for 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one is CCc1ccc2c(c1)CC(=O)N2CCCOc1cccc(N)c1.
What is the InChIKey of 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one?
The InChIKey is ZFZPDZJFTAGIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-14-7-8-18-15(11-14)12-19(22)21(18)9-4-10-23-17-6-3-5-16(20)13-17/h3,5-8,11,13H,2,4,9-10,12,20H2,1H3.
What are the key properties of 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one?
1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one is sourced from PubChem (CID 84758464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).