N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide

C16H20N2O2 — CID 23725514

IUPACN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3nc(C)oc3c21
InChIInChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyJROBZLKCLLSHNV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide

N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide (PubChem CID 23725514) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide
PubChem CID23725514
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3nc(C)oc3c21
InChIInChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyJROBZLKCLLSHNV-UHFFFAOYSA-N
XLogP3.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide (CID 23725514) is N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3nc(C)oc3c21.
What is the InChIKey of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide?
The InChIKey is JROBZLKCLLSHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide?
N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]propanamide is sourced from PubChem (CID 23725514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).