N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C16H21N3O4 — CID 92667177

IUPACN-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)NCCN1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-15(17-5-6-19-7-9-22-10-8-19)11-14-16(21)18-12-3-1-2-4-13(12)23-14/h1-4,14H,5-11H2,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyOMAXPQYLPOVORP-CQSZACIVSA-N
MW319.36 g/mol
LogP0.22
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 92667177) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID92667177
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)NCCN1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-15(17-5-6-19-7-9-22-10-8-19)11-14-16(21)18-12-3-1-2-4-13(12)23-14/h1-4,14H,5-11H2,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyOMAXPQYLPOVORP-CQSZACIVSA-N
XLogP0.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide with MolForge

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Related Compounds

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 171647718
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881656
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768927
N-(4-methylpiperazin-1-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205856
N-(4-methylpiperazin-1-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205859
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9473721
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8546401
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 97496977
N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881665
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 97263755
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 92667177) is N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is O=C(C[C@H]1Oc2ccccc2NC1=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is OMAXPQYLPOVORP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-15(17-5-6-19-7-9-22-10-8-19)11-14-16(21)18-12-3-1-2-4-13(12)23-14/h1-4,14H,5-11H2,(H,17,20)(H,18,21)/t14-/m1/s1.
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 92667177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).