N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H26N2O3 — CID 3240535

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C20H26N2O3/c1-2-17-20(24)22(16-10-6-7-11-18(16)25-17)14-19(23)21-13-12-15-8-4-3-5-9-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3,(H,21,23)
InChIKeyXFDZNMWOGULFMW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.20
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3240535) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3240535
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C20H26N2O3/c1-2-17-20(24)22(16-10-6-7-11-18(16)25-17)14-19(23)21-13-12-15-8-4-3-5-9-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3,(H,21,23)
InChIKeyXFDZNMWOGULFMW-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3240535) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCC1Oc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is XFDZNMWOGULFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-17-20(24)22(16-10-6-7-11-18(16)25-17)14-19(23)21-13-12-15-8-4-3-5-9-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3240535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).