(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one

C24H29NO4 — CID 7444599

IUPAC(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)N(CCCOc2cc(C)ccc2C(C)C)c2ccccc21
InChIInChI=1S/C24H29NO4/c1-16(2)19-11-10-17(3)14-22(19)29-13-7-12-25-21-9-6-5-8-20(21)24(28,23(25)27)15-18(4)26/h5-6,8-11,14,16,28H,7,12-13,15H2,1-4H3/t24-/m1/s1
InChIKeyKVQFTENMLNDFIV-XMMPIXPASA-N
MW395.50 g/mol
LogP4.10
Rot. Bonds8

About (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one

(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one (PubChem CID 7444599) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
PubChem CID7444599
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)N(CCCOc2cc(C)ccc2C(C)C)c2ccccc21
InChIInChI=1S/C24H29NO4/c1-16(2)19-11-10-17(3)14-22(19)29-13-7-12-25-21-9-6-5-8-20(21)24(28,23(25)27)15-18(4)26/h5-6,8-11,14,16,28H,7,12-13,15H2,1-4H3/t24-/m1/s1
InChIKeyKVQFTENMLNDFIV-XMMPIXPASA-N
XLogP4.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.10
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

(3S)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444610
(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444611
7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 18888556
4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888624
(3S)-3-hydroxy-5-methyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 7444681
3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
CID 6499622
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 7444545
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
1-butyl-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 18888271
3-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1,1-dioxo-1,3-benzothiazol-2-one
CID 18884389
5'-methyl-1'-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177851
1-[(2-ethoxyphenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 6499625

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one (CID 7444599) is (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one is CC(=O)C[C@]1(O)C(=O)N(CCCOc2cc(C)ccc2C(C)C)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
The InChIKey is KVQFTENMLNDFIV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29NO4/c1-16(2)19-11-10-17(3)14-22(19)29-13-7-12-25-21-9-6-5-8-20(21)24(28,23(25)27)15-18(4)26/h5-6,8-11,14,16,28H,7,12-13,15H2,1-4H3/t24-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one has a molecular weight of 395.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 7444599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).