N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide

C16H20N2O3 — CID 11011664

IUPACN-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)NC(=O)CO3
InChIInChI=1S/C16H20N2O3/c1-2-13(19)17-8-7-11-4-3-10-5-6-12-16(15(10)11)18-14(20)9-21-12/h5-6,11H,2-4,7-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUDZRTVQWBIHOQA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide

N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide (PubChem CID 11011664) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide
PubChem CID11011664
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)NC(=O)CO3
InChIInChI=1S/C16H20N2O3/c1-2-13(19)17-8-7-11-4-3-10-5-6-12-16(15(10)11)18-14(20)9-21-12/h5-6,11H,2-4,7-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyUDZRTVQWBIHOQA-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide (CID 11011664) is N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3c(c21)NC(=O)CO3.
What is the InChIKey of N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
The InChIKey is UDZRTVQWBIHOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-13(19)17-8-7-11-4-3-10-5-6-12-16(15(10)11)18-14(20)9-21-12/h5-6,11H,2-4,7-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,7,8,9-tetrahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide is sourced from PubChem (CID 11011664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).