2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

C17H23NO2 — CID 11708851

IUPAC2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C17H23NO2/c1-11(2)17(19)18-9-7-13-4-3-12-5-6-15-14(16(12)13)8-10-20-15/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyRXLSWWMNDCRHQF-ZDUSSCGKSA-N
MW273.38 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide (PubChem CID 11708851) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
PubChem CID11708851
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C17H23NO2/c1-11(2)17(19)18-9-7-13-4-3-12-5-6-15-14(16(12)13)8-10-20-15/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyRXLSWWMNDCRHQF-ZDUSSCGKSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide (CID 11708851) is 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide is CC(C)C(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3.
What is the InChIKey of 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The InChIKey is RXLSWWMNDCRHQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)17(19)18-9-7-13-4-3-12-5-6-15-14(16(12)13)8-10-20-15/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide is sourced from PubChem (CID 11708851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).