N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide

C16H22N2O2 — CID 11747761

IUPACN-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)NCCO3
InChIInChI=1S/C16H22N2O2/c1-2-14(19)17-8-7-12-4-3-11-5-6-13-16(15(11)12)18-9-10-20-13/h5-6,12,18H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyWHTHDJLAPFBQSY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide

N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide (PubChem CID 11747761) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide
PubChem CID11747761
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)NCCO3
InChIInChI=1S/C16H22N2O2/c1-2-14(19)17-8-7-12-4-3-11-5-6-13-16(15(11)12)18-9-10-20-13/h5-6,12,18H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyWHTHDJLAPFBQSY-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide with MolForge

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Related Compounds

N-[2-(1,2,3,7,8,9-hexahydro-2-oxoindeno[5,4-b][1,4]oxazin-9-yl)ethyl]propionamide
CID 11011664
5-methyl-6-(3-methylphenyl)-4H-1,4-benzoxazin-3-one
CID 57585515
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2101610
4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide
CID 22512857
6-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71461064
8-methoxy-5-[2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 44296923
8-Methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
CID 16789499
5-[2-(dipropylamino)ethyl]-8-methoxy-1H-quinolin-2-one
CID 44296680
6-methoxy-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 156009723
ethyl (3aS,4R,9bR)-6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 164673711
N-Butyl-4-[6-(2-methylbutan-2-YL)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-YL]butanamide
CID 4415783
N-(2,3-dimethylcyclohexyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 3252878

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide (CID 11747761) is N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3c(c21)NCCO3.
What is the InChIKey of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
The InChIKey is WHTHDJLAPFBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-14(19)17-8-7-12-4-3-11-5-6-13-16(15(11)12)18-9-10-20-13/h5-6,12,18H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide?
N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f][1,4]benzoxazin-9-yl)ethyl]propanamide is sourced from PubChem (CID 11747761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).