2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide

C15H23N3O2 — CID 82025155

IUPAC2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CC(C)Oc2ccc(N)cc21
InChIInChI=1S/C15H23N3O2/c1-4-10(2)17-15(19)9-18-8-11(3)20-14-6-5-12(16)7-13(14)18/h5-7,10-11H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyDJRBQTJVEFKGEI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.77
Rot. Bonds4

About 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide

2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide (PubChem CID 82025155) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide
PubChem CID82025155
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CC(C)Oc2ccc(N)cc21
InChIInChI=1S/C15H23N3O2/c1-4-10(2)17-15(19)9-18-8-11(3)20-14-6-5-12(16)7-13(14)18/h5-7,10-11H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyDJRBQTJVEFKGEI-UHFFFAOYSA-N
XLogP1.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82025188
propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82025175
(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25387543
2-(6-amino-2,3-dihydroindol-1-yl)-N-pentan-2-ylacetamide
CID 61490206
2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 82025514
4-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025211
2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025229
2-(7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 82025111
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
CID 43446594
2-amino-1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340219
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide (CID 82025155) is 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CC(C)Oc2ccc(N)cc21.
What is the InChIKey of 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide?
The InChIKey is DJRBQTJVEFKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10(2)17-15(19)9-18-8-11(3)20-14-6-5-12(16)7-13(14)18/h5-7,10-11H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide?
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide has a molecular weight of 277.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide is sourced from PubChem (CID 82025155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).