N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C22H25N3O4 — CID 9186555

IUPACN-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)c(C)c1
InChIInChI=1S/C22H25N3O4/c1-13-9-14(2)21(15(3)10-13)24-19(26)12-25(4)20(27)11-18-22(28)23-16-7-5-6-8-17(16)29-18/h5-10,18H,11-12H2,1-4H3,(H,23,28)(H,24,26)/t18-/m1/s1
InChIKeyKJMPVQSAAIOPAM-GOSISDBHSA-N
MW395.46 g/mol
LogP2.80
Rot. Bonds5

About N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 9186555) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID9186555
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)c(C)c1
InChIInChI=1S/C22H25N3O4/c1-13-9-14(2)21(15(3)10-13)24-19(26)12-25(4)20(27)11-18-22(28)23-16-7-5-6-8-17(16)29-18/h5-10,18H,11-12H2,1-4H3,(H,23,28)(H,24,26)/t18-/m1/s1
InChIKeyKJMPVQSAAIOPAM-GOSISDBHSA-N
XLogP2.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9426452
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627
N-(6-methyl-2-pyridinyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769936
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 9309408
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 9309405
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 40712460
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9225247
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 31873348
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9374032
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 9186555) is N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)c(C)c1.
What is the InChIKey of N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is KJMPVQSAAIOPAM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13-9-14(2)21(15(3)10-13)24-19(26)12-25(4)20(27)11-18-22(28)23-16-7-5-6-8-17(16)29-18/h5-10,18H,11-12H2,1-4H3,(H,23,28)(H,24,26)/t18-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 9186555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).