2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide

C16H23N3O3 — CID 28815943

IUPAC2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)C(C)(C)Oc2cc(N)ccc21
InChIInChI=1S/C16H23N3O3/c1-5-18(6-2)14(20)10-19-12-8-7-11(17)9-13(12)22-16(3,4)15(19)21/h7-9H,5-6,10,17H2,1-4H3
InChIKeyVELQAAHUNIWFQJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.64
Rot. Bonds4

About 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide

2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide (PubChem CID 28815943) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide
PubChem CID28815943
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)C(C)(C)Oc2cc(N)ccc21
InChIInChI=1S/C16H23N3O3/c1-5-18(6-2)14(20)10-19-12-8-7-11(17)9-13(12)22-16(3,4)15(19)21/h7-9H,5-6,10,17H2,1-4H3
InChIKeyVELQAAHUNIWFQJ-UHFFFAOYSA-N
XLogP1.64
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide (CID 28815943) is 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1C(=O)C(C)(C)Oc2cc(N)ccc21.
What is the InChIKey of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide?
The InChIKey is VELQAAHUNIWFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-18(6-2)14(20)10-19-12-8-7-11(17)9-13(12)22-16(3,4)15(19)21/h7-9H,5-6,10,17H2,1-4H3.
What are the key properties of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide?
2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide has a molecular weight of 305.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide is sourced from PubChem (CID 28815943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).