2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide

C22H26N2O3 — CID 23409914

IUPAC2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)N1C(=O)C(C)Oc2ccc(C)cc21
InChIInChI=1S/C22H26N2O3/c1-6-17-9-7-8-14(3)20(17)23-21(25)15(4)24-18-12-13(2)10-11-19(18)27-16(5)22(24)26/h7-12,15-16H,6H2,1-5H3,(H,23,25)
InChIKeyHLCBEYRTKJOYPK-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.01
Rot. Bonds4

About 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide

2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 23409914) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID23409914
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)N1C(=O)C(C)Oc2ccc(C)cc21
InChIInChI=1S/C22H26N2O3/c1-6-17-9-7-8-14(3)20(17)23-21(25)15(4)24-18-12-13(2)10-11-19(18)27-16(5)22(24)26/h7-12,15-16H,6H2,1-5H3,(H,23,25)
InChIKeyHLCBEYRTKJOYPK-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]butanoic acid
CID 82033813
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide
CID 23409620
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 84563052
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide
CID 23409595
2-(6-hydroxy-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 82063434
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409734
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
CID 3225025
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide
CID 23409166
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 7081327

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide (CID 23409914) is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)C(C)N1C(=O)C(C)Oc2ccc(C)cc21.
What is the InChIKey of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is HLCBEYRTKJOYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-6-17-9-7-8-14(3)20(17)23-21(25)15(4)24-18-12-13(2)10-11-19(18)27-16(5)22(24)26/h7-12,15-16H,6H2,1-5H3,(H,23,25).
What are the key properties of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 23409914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).