[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

C19H18N2O5 — CID 2456362

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C19H18N2O5/c1-13-6-8-14(9-7-13)20-17(22)11-26-19(24)10-21-15-4-2-3-5-16(15)25-12-18(21)23/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyUQSXSGWLOFWFCL-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.90
Rot. Bonds5

About [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 2456362) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID2456362
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C19H18N2O5/c1-13-6-8-14(9-7-13)20-17(22)11-26-19(24)10-21-15-4-2-3-5-16(15)25-12-18(21)23/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyUQSXSGWLOFWFCL-UHFFFAOYSA-N
XLogP1.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate with MolForge

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Related Compounds

AC-260584
CID 9928284
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
N-(4-Benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-methanesulfonamide
CID 6488693
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (CID 2456362) is [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is Cc1ccc(NC(=O)COC(=O)CN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is UQSXSGWLOFWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-13-6-8-14(9-7-13)20-17(22)11-26-19(24)10-21-15-4-2-3-5-16(15)25-12-18(21)23/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 354.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 2456362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).