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Tasimelteon

C15H19NO2 — CID 10220503

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
InChIInChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyPTOIAAWZLUQTIO-GXFFZTMASA-N
MW245.32 g/mol
LogP2.25
Rot. Bonds4

About Tasimelteon

Tasimelteon (PubChem CID 10220503) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameTasimelteon
PubChem CID10220503
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
InChIInChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyPTOIAAWZLUQTIO-GXFFZTMASA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-(3-methoxyphenyl)propyl)acetamide
CID 10750842
Cifea
CID 53238181
Bomppa
CID 71508234
N-(3-(3-methoxyphenyl)propyl)propionamide
CID 10104923
N-[2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]acetamide
CID 10890175
(s)-1-[2-(Acetylamino)ethyl]-6-methoxyindan
CID 10988162
2,2,2-Trifluoro-N-[2-(6-methoxy-3H-inden-1-yl)-ethyl]-acetamide
CID 11000600
N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 11044399
rac-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-yl)ethyl]propanamide
CID 11053973

Frequently Asked Questions

What is the IUPAC name of Tasimelteon?
The IUPAC name of Tasimelteon (CID 10220503) is N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for Tasimelteon?
The canonical SMILES for Tasimelteon is CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2.
What is the InChIKey of Tasimelteon?
The InChIKey is PTOIAAWZLUQTIO-GXFFZTMASA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1.
What are the key properties of Tasimelteon?
Tasimelteon has a molecular weight of 245.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tasimelteon is sourced from PubChem (CID 10220503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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