N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide

C18H25NO2 — CID 11044399

IUPACN-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)CC(C)(C)O3
InChIInChI=1S/C18H25NO2/c1-4-16(20)19-10-9-13-6-5-12-7-8-15-14(17(12)13)11-18(2,3)21-15/h7-8,13H,4-6,9-11H2,1-3H3,(H,19,20)
InChIKeyTWOIHLCNCICJKV-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.35
Rot. Bonds4

About N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide

N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide (PubChem CID 11044399) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
PubChem CID11044399
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)CC(C)(C)O3
InChIInChI=1S/C18H25NO2/c1-4-16(20)19-10-9-13-6-5-12-7-8-15-14(17(12)13)11-18(2,3)21-15/h7-8,13H,4-6,9-11H2,1-3H3,(H,19,20)
InChIKeyTWOIHLCNCICJKV-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide (CID 11044399) is N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3c(c21)CC(C)(C)O3.
What is the InChIKey of N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The InChIKey is TWOIHLCNCICJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-16(20)19-10-9-13-6-5-12-7-8-15-14(17(12)13)11-18(2,3)21-15/h7-8,13H,4-6,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide has a molecular weight of 287.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide is sourced from PubChem (CID 11044399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).