2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide

C20H30N2O3 — CID 3411032

IUPAC2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H30N2O3/c1-5-6-7-8-11-21-18(23)13-22-16-12-15(20(2,3)4)9-10-17(16)25-14-19(22)24/h9-10,12H,5-8,11,13-14H2,1-4H3,(H,21,23)
InChIKeyGDCYRTDVDAYPKK-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.41
Rot. Bonds7

About 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide

2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide (PubChem CID 3411032) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide
PubChem CID3411032
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H30N2O3/c1-5-6-7-8-11-21-18(23)13-22-16-12-15(20(2,3)4)9-10-17(16)25-14-19(22)24/h9-10,12H,5-8,11,13-14H2,1-4H3,(H,21,23)
InChIKeyGDCYRTDVDAYPKK-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(azepan-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660976
N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660975
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 15994004
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylpropyl)acetamide
CID 42787928
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 3570488
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
CID 46857160
N-butyl-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 122175525
N-hexyl-2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-1,3-oxazole-4-carboxamide
CID 5061688
4-[[2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 82033065
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(3R)-oxan-3-yl]acetamide
CID 51497838
2-[7-(aminomethyl)-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide
CID 82338764

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide?
The IUPAC name of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide (CID 3411032) is 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide.
What is the SMILES notation for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide?
The canonical SMILES for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide is CCCCCCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide?
The InChIKey is GDCYRTDVDAYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-6-7-8-11-21-18(23)13-22-16-12-15(20(2,3)4)9-10-17(16)25-14-19(22)24/h9-10,12H,5-8,11,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide?
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide has a molecular weight of 346.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide is sourced from PubChem (CID 3411032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).