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

C11H12N4O4 — CID 62987720

IUPAC2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CN1C(=O)COc2cc(N)ccc21
InChIInChI=1S/C11H12N4O4/c12-6-1-2-7-8(3-6)19-5-10(17)15(7)4-9(16)14-11(13)18/h1-3H,4-5,12H2,(H3,13,14,16,18)
InChIKeyHVPRVTUDUJZUSP-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.81
Rot. Bonds2

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

2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide (PubChem CID 62987720) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide
PubChem CID62987720
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CN1C(=O)COc2cc(N)ccc21
InChIInChI=1S/C11H12N4O4/c12-6-1-2-7-8(3-6)19-5-10(17)15(7)4-9(16)14-11(13)18/h1-3H,4-5,12H2,(H3,13,14,16,18)
InChIKeyHVPRVTUDUJZUSP-UHFFFAOYSA-N
XLogP-0.81
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 62987008
7-amino-4-(2-hydroxy-2-methylpropyl)-1,4-benzoxazin-3-one
CID 122687922
7-amino-4-(2-methylsulfonylethyl)-1,4-benzoxazin-3-one
CID 62988238
4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide
CID 62988067
7-amino-4-[(E)-but-2-enyl]-1,4-benzoxazin-3-one
CID 107900545
7-amino-4-(2-ethylsulfonylethyl)-1,4-benzoxazin-3-one
CID 55154456
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
ethyl 2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 51045402
6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one
CID 115260484
2-[7-(aminomethyl)-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide
CID 82338764
7-amino-4-[(2-methyltetrazol-5-yl)methyl]-1,4-benzoxazin-3-one
CID 107042833
N-cyclopentyl-2-(7-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82063564

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide?
The IUPAC name of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide (CID 62987720) is 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide.
What is the SMILES notation for 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide?
The canonical SMILES for 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide is NC(=O)NC(=O)CN1C(=O)COc2cc(N)ccc21.
What is the InChIKey of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide?
The InChIKey is HVPRVTUDUJZUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c12-6-1-2-7-8(3-6)19-5-10(17)15(7)4-9(16)14-11(13)18/h1-3H,4-5,12H2,(H3,13,14,16,18).
What are the key properties of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide?
2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide has a molecular weight of 264.24 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide is sourced from PubChem (CID 62987720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).