N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide

C15H20N2O3 — CID 110404623

IUPACN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1Oc2ccccc2NC1=O
InChIInChI=1S/C15H20N2O3/c1-2-3-8-14(18)16-10-9-13-15(19)17-11-6-4-5-7-12(11)20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLCUAZRLRHWRSCU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide

N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide (PubChem CID 110404623) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
PubChem CID110404623
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1Oc2ccccc2NC1=O
InChIInChI=1S/C15H20N2O3/c1-2-3-8-14(18)16-10-9-13-15(19)17-11-6-4-5-7-12(11)20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLCUAZRLRHWRSCU-UHFFFAOYSA-N
XLogP2.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide (CID 110404623) is N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide is CCCCC(=O)NCCC1Oc2ccccc2NC1=O.
What is the InChIKey of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide?
The InChIKey is LCUAZRLRHWRSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-3-8-14(18)16-10-9-13-15(19)17-11-6-4-5-7-12(11)20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide?
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide has a molecular weight of 276.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide is sourced from PubChem (CID 110404623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).