2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide

C20H21N3O4 — CID 110630261

IUPAC2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESO=C1COc2c(cccc2NC(=O)Cc2ccc(N3CCOCC3)cc2)N1
InChIInChI=1S/C20H21N3O4/c24-18(21-16-2-1-3-17-20(16)27-13-19(25)22-17)12-14-4-6-15(7-5-14)23-8-10-26-11-9-23/h1-7H,8-13H2,(H,21,24)(H,22,25)
InChIKeyBNNMMXFOYVKRJO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.04
Rot. Bonds4

About 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide

2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (PubChem CID 110630261) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
PubChem CID110630261
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESO=C1COc2c(cccc2NC(=O)Cc2ccc(N3CCOCC3)cc2)N1
InChIInChI=1S/C20H21N3O4/c24-18(21-16-2-1-3-17-20(16)27-13-19(25)22-17)12-14-4-6-15(7-5-14)23-8-10-26-11-9-23/h1-7H,8-13H2,(H,21,24)(H,22,25)
InChIKeyBNNMMXFOYVKRJO-UHFFFAOYSA-N
XLogP2.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425885
2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110428777
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630221
N-(5-acetyl-2-methylphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425585
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630222
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide
CID 138043321
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110630241

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (CID 110630261) is 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is O=C1COc2c(cccc2NC(=O)Cc2ccc(N3CCOCC3)cc2)N1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The InChIKey is BNNMMXFOYVKRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18(21-16-2-1-3-17-20(16)27-13-19(25)22-17)12-14-4-6-15(7-5-14)23-8-10-26-11-9-23/h1-7H,8-13H2,(H,21,24)(H,22,25).
What are the key properties of 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is sourced from PubChem (CID 110630261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).