[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate

C24H30N2O4 — CID 155238791

IUPAC[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate
SMILESCNC(C(=O)OCC(O)COc1cccc(-c2cc3ccccc3n2C)c1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-16(2)23(25-3)24(28)30-15-19(27)14-29-20-10-7-9-17(12-20)22-13-18-8-5-6-11-21(18)26(22)4/h5-13,16,19,23,25,27H,14-15H2,1-4H3
InChIKeyCBQWJELNQXITIA-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.37
Rot. Bonds9

About [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate

[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate (PubChem CID 155238791) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate
PubChem CID155238791
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate
SMILESCNC(C(=O)OCC(O)COc1cccc(-c2cc3ccccc3n2C)c1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-16(2)23(25-3)24(28)30-15-19(27)14-29-20-10-7-9-17(12-20)22-13-18-8-5-6-11-21(18)26(22)4/h5-13,16,19,23,25,27H,14-15H2,1-4H3
InChIKeyCBQWJELNQXITIA-UHFFFAOYSA-N
XLogP3.37
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
CID 135308431
[2-hydroxy-3-[4-(1-pentylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
CID 135308425
[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate
CID 153303390
[3-[[1,1-difluoro-3-(1-methyl-2-phenylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylpropanoate
CID 155265535
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171
[4,5-dihydroxy-6-(1-methyl-2-phenylindol-6-yl)oxyhexyl] prop-2-enoate
CID 154601572
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
methyl 2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910386
[3,3,3-trifluoro-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]propyl] prop-2-enoate
CID 146391415
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol
CID 155238613

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate?
The IUPAC name of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate (CID 155238791) is [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate.
What is the SMILES notation for [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate?
The canonical SMILES for [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate is CNC(C(=O)OCC(O)COc1cccc(-c2cc3ccccc3n2C)c1)C(C)C.
What is the InChIKey of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate?
The InChIKey is CBQWJELNQXITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(2)23(25-3)24(28)30-15-19(27)14-29-20-10-7-9-17(12-20)22-13-18-8-5-6-11-21(18)26(22)4/h5-13,16,19,23,25,27H,14-15H2,1-4H3.
What are the key properties of [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate?
[2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate has a molecular weight of 410.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-(1-methylindol-2-yl)phenoxy]propyl] 3-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 155238791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).