2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide

C15H19N3O3 — CID 62988767

IUPAC2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide
SMILESCC1Oc2cc(N)ccc2N(CC(=O)N(C)C2CC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-9-15(20)18(8-14(19)17(2)11-4-5-11)12-6-3-10(16)7-13(12)21-9/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyVEWOZDQVOPEJDN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.00
Rot. Bonds3

About 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide

2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 62988767) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID62988767
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide
SMILESCC1Oc2cc(N)ccc2N(CC(=O)N(C)C2CC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-9-15(20)18(8-14(19)17(2)11-4-5-11)12-6-3-10(16)7-13(12)21-9/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyVEWOZDQVOPEJDN-UHFFFAOYSA-N
XLogP1.00
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(cyanomethyl)acetamide
CID 62989118
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928653
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928652
7-amino-4-(3-hydroxy-3-methylbutyl)-2-methyl-1,4-benzoxazin-3-one
CID 79354843
7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
CID 62987546
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 53016064
7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one
CID 83155673
2-[(2S)-2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 94063588
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489538
7-amino-4-(3-ethylsulfonylpropyl)-2-methyl-1,4-benzoxazin-3-one
CID 65093329
4-(2-amino-2-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82057830

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide (CID 62988767) is 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide is CC1Oc2cc(N)ccc2N(CC(=O)N(C)C2CC2)C1=O.
What is the InChIKey of 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is VEWOZDQVOPEJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-15(20)18(8-14(19)17(2)11-4-5-11)12-6-3-10(16)7-13(12)21-9/h3,6-7,9,11H,4-5,8,16H2,1-2H3.
What are the key properties of 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide?
2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 289.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 62988767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).