2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

C23H26BrN3O4 — CID 55899310

IUPAC2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)N2CCOCC2)cc1
InChIInChI=1S/C23H26BrN3O4/c1-16-2-4-17(5-3-16)20(26-8-10-30-11-9-26)13-25-22(28)14-27-19-7-6-18(24)12-21(19)31-15-23(27)29/h2-7,12,20H,8-11,13-15H2,1H3,(H,25,28)
InChIKeyMOSJGRFQGXOEFK-UHFFFAOYSA-N
MW488.38 g/mol
LogP2.67
Rot. Bonds6

About 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 55899310) has the molecular formula C23H26BrN3O4 and a molecular weight of 488.38 g/mol. Its IUPAC name is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID55899310
Molecular FormulaC23H26BrN3O4
Molecular Weight488.38 g/mol
Exact Mass487.11
IUPAC Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)N2CCOCC2)cc1
InChIInChI=1S/C23H26BrN3O4/c1-16-2-4-17(5-3-16)20(26-8-10-30-11-9-26)13-25-22(28)14-27-19-7-6-18(24)12-21(19)31-15-23(27)29/h2-7,12,20H,8-11,13-15H2,1H3,(H,25,28)
InChIKeyMOSJGRFQGXOEFK-UHFFFAOYSA-N
XLogP2.67
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 55687401
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 9462812
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 52589597
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 52702584
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78872400
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 22694279
diethyl 2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanedioate
CID 39403095
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (CID 55899310) is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc(C(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)N2CCOCC2)cc1.
What is the InChIKey of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is MOSJGRFQGXOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O4/c1-16-2-4-17(5-3-16)20(26-8-10-30-11-9-26)13-25-22(28)14-27-19-7-6-18(24)12-21(19)31-15-23(27)29/h2-7,12,20H,8-11,13-15H2,1H3,(H,25,28).
What are the key properties of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 488.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 55899310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).