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

C16H20N2O2 — CID 23725515

IUPACN-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide
SMILESCCc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3
InChIInChI=1S/C16H20N2O2/c1-3-14-18-13-7-6-11-4-5-12(8-9-17-10(2)19)15(11)16(13)20-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyFIPHYUVXAUQDEU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds4

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

N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide (PubChem CID 23725515) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide
PubChem CID23725515
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide
SMILESCCc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3
InChIInChI=1S/C16H20N2O2/c1-3-14-18-13-7-6-11-4-5-12(8-9-17-10(2)19)15(11)16(13)20-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyFIPHYUVXAUQDEU-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide (CID 23725515) is N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide is CCc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3.
What is the InChIKey of N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide?
The InChIKey is FIPHYUVXAUQDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14-18-13-7-6-11-4-5-12(8-9-17-10(2)19)15(11)16(13)20-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide?
N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl)ethyl]acetamide is sourced from PubChem (CID 23725515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).