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

C16H22N2O3 — CID 110404629

IUPAC2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCC1Oc2ccccc2NC1=O
InChIInChI=1S/C16H22N2O3/c1-3-11(4-2)15(19)17-10-9-14-16(20)18-12-7-5-6-8-13(12)21-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWBXYNPSXDNQLMF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds6

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

2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide (PubChem CID 110404629) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
PubChem CID110404629
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCC1Oc2ccccc2NC1=O
InChIInChI=1S/C16H22N2O3/c1-3-11(4-2)15(19)17-10-9-14-16(20)18-12-7-5-6-8-13(12)21-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWBXYNPSXDNQLMF-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide (CID 110404629) is 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide is CCC(CC)C(=O)NCCC1Oc2ccccc2NC1=O.
What is the InChIKey of 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide?
The InChIKey is WBXYNPSXDNQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11(4-2)15(19)17-10-9-14-16(20)18-12-7-5-6-8-13(12)21-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide?
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide is sourced from PubChem (CID 110404629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).