N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C19H20N2O3 — CID 5308795

IUPACN-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CC1Oc2ccccc2NC1=O
InChIInChI=1S/C19H20N2O3/c1-2-21(13-14-8-4-3-5-9-14)18(22)12-17-19(23)20-15-10-6-7-11-16(15)24-17/h3-11,17H,2,12-13H2,1H3,(H,20,23)
InChIKeyGPQCCTCARGVBJJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.82
Rot. Bonds5

About N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 5308795) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID5308795
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CC1Oc2ccccc2NC1=O
InChIInChI=1S/C19H20N2O3/c1-2-21(13-14-8-4-3-5-9-14)18(22)12-17-19(23)20-15-10-6-7-11-16(15)24-17/h3-11,17H,2,12-13H2,1H3,(H,20,23)
InChIKeyGPQCCTCARGVBJJ-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 5308795) is N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is CCN(Cc1ccccc1)C(=O)CC1Oc2ccccc2NC1=O.
What is the InChIKey of N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is GPQCCTCARGVBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-21(13-14-8-4-3-5-9-14)18(22)12-17-19(23)20-15-10-6-7-11-16(15)24-17/h3-11,17H,2,12-13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 5308795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).