N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide

C18H17N3O6 — CID 51065308

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide
SMILESCC1Oc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2N(C)C1=O
InChIInChI=1S/C18H17N3O6/c1-11-18(23)20(2)14-9-12(7-8-16(14)27-11)19-17(22)10-26-15-6-4-3-5-13(15)21(24)25/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyJBCPZTDWONFUKG-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.36
Rot. Bonds5

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide (PubChem CID 51065308) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide
PubChem CID51065308
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide
SMILESCC1Oc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2N(C)C1=O
InChIInChI=1S/C18H17N3O6/c1-11-18(23)20(2)14-9-12(7-8-16(14)27-11)19-17(22)10-26-15-6-4-3-5-13(15)21(24)25/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyJBCPZTDWONFUKG-UHFFFAOYSA-N
XLogP2.36
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131908860
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
3-(benzenesulfonyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 131889206
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 32683930
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide (CID 51065308) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide is CC1Oc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2N(C)C1=O.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is JBCPZTDWONFUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-11-18(23)20(2)14-9-12(7-8-16(14)27-11)19-17(22)10-26-15-6-4-3-5-13(15)21(24)25/h3-9,11H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 371.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 51065308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).