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

C17H22N2O3 — CID 3155019

IUPACN-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H22N2O3/c1-2-14-17(21)19(13-9-5-6-10-15(13)22-14)11-16(20)18-12-7-3-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,20)
InChIKeyLIWASZRXZABDFB-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.25
Rot. Bonds4

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

N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3155019) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3155019
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H22N2O3/c1-2-14-17(21)19(13-9-5-6-10-15(13)22-14)11-16(20)18-12-7-3-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,20)
InChIKeyLIWASZRXZABDFB-UHFFFAOYSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3155019) is N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCC1Oc2ccccc2N(CC(=O)NC2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is LIWASZRXZABDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-14-17(21)19(13-9-5-6-10-15(13)22-14)11-16(20)18-12-7-3-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).