[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone

C25H30N2O4 — CID 1208359

IUPAC[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)c3cc(C)ccc3n2C[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C25H30N2O4/c1-17-4-9-23-22(14-17)18(2)24(25(29)19-5-7-21(30-3)8-6-19)27(23)16-20(28)15-26-10-12-31-13-11-26/h4-9,14,20,28H,10-13,15-16H2,1-3H3/t20-/m1/s1
InChIKeySWMHBPGXLQZCIH-HXUWFJFHSA-N
MW422.53 g/mol
LogP3.19
Rot. Bonds7

About [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone

[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 1208359) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
PubChem CID1208359
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)c3cc(C)ccc3n2C[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C25H30N2O4/c1-17-4-9-23-22(14-17)18(2)24(25(29)19-5-7-21(30-3)8-6-19)27(23)16-20(28)15-26-10-12-31-13-11-26/h4-9,14,20,28H,10-13,15-16H2,1-3H3/t20-/m1/s1
InChIKeySWMHBPGXLQZCIH-HXUWFJFHSA-N
XLogP3.19
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone (CID 1208359) is [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)c3cc(C)ccc3n2C[C@H](O)CN2CCOCC2)cc1.
What is the InChIKey of [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is SWMHBPGXLQZCIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17-4-9-23-22(14-17)18(2)24(25(29)19-5-7-21(30-3)8-6-19)27(23)16-20(28)15-26-10-12-31-13-11-26/h4-9,14,20,28H,10-13,15-16H2,1-3H3/t20-/m1/s1.
What are the key properties of [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 422.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1208359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).