3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one

C24H23NO4 — CID 6499622

IUPAC3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO4/c1-17(26)16-24(28)20-11-4-5-12-21(20)25(23(24)27)14-7-15-29-22-13-6-9-18-8-2-3-10-19(18)22/h2-6,8-13,28H,7,14-16H2,1H3
InChIKeyBAFFSQZLUMMGGV-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.82
Rot. Bonds7

About 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one

3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one (PubChem CID 6499622) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
PubChem CID6499622
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO4/c1-17(26)16-24(28)20-11-4-5-12-21(20)25(23(24)27)14-7-15-29-22-13-6-9-18-8-2-3-10-19(18)22/h2-6,8-13,28H,7,14-16H2,1H3
InChIKeyBAFFSQZLUMMGGV-UHFFFAOYSA-N
XLogP3.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 7444545
(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444611
(3S)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444610
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884281
7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888558
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
CID 17131923
1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 6499592
(3S)-3-hydroxy-5-methyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 7444681
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-phenacylindol-2-one
CID 41089534
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one (CID 6499622) is 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one is CC(=O)CC1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one?
The InChIKey is BAFFSQZLUMMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17(26)16-24(28)20-11-4-5-12-21(20)25(23(24)27)14-7-15-29-22-13-6-9-18-8-2-3-10-19(18)22/h2-6,8-13,28H,7,14-16H2,1H3.
What are the key properties of 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one?
3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one has a molecular weight of 389.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 6499622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).