4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one

C27H30N2O5 — CID 70434637

IUPAC4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one
SMILESCOc1ccccc1OC(CNCC(O)COc1cccc2c1CC(=O)N2)Cc1ccccc1
InChIInChI=1S/C27H30N2O5/c1-32-25-11-5-6-12-26(25)34-21(14-19-8-3-2-4-9-19)17-28-16-20(30)18-33-24-13-7-10-23-22(24)15-27(31)29-23/h2-13,20-21,28,30H,14-18H2,1H3,(H,29,31)
InChIKeyQQVUCIJDORBJQA-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.21
Rot. Bonds12

About 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one

4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one (PubChem CID 70434637) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one
PubChem CID70434637
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one
SMILESCOc1ccccc1OC(CNCC(O)COc1cccc2c1CC(=O)N2)Cc1ccccc1
InChIInChI=1S/C27H30N2O5/c1-32-25-11-5-6-12-26(25)34-21(14-19-8-3-2-4-9-19)17-28-16-20(30)18-33-24-13-7-10-23-22(24)15-27(31)29-23/h2-13,20-21,28,30H,14-18H2,1H3,(H,29,31)
InChIKeyQQVUCIJDORBJQA-UHFFFAOYSA-N
XLogP3.21
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one
CID 70573175
[1-(9H-carbazol-1-yloxy)-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propan-2-yl] benzoate
CID 70083700
4-[(2S)-3-[[(3,4-dimethoxyphenyl)sulfonyl-piperidin-4-ylmethyl]amino]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
CID 70001615
ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 143124186
benzoic acid;5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 170341081
4-[3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-oxopropyl]-1,3-dihydroindol-2-one
CID 3066299
2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide
CID 70576422
6-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531643
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 3040189
5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70399576
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one (CID 70434637) is 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one is COc1ccccc1OC(CNCC(O)COc1cccc2c1CC(=O)N2)Cc1ccccc1.
What is the InChIKey of 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one?
The InChIKey is QQVUCIJDORBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-32-25-11-5-6-12-26(25)34-21(14-19-8-3-2-4-9-19)17-28-16-20(30)18-33-24-13-7-10-23-22(24)15-27(31)29-23/h2-13,20-21,28,30H,14-18H2,1H3,(H,29,31).
What are the key properties of 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one?
4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one has a molecular weight of 462.55 g/mol, XLogP of 3.21, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 70434637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).