N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C15H20N2O3 — CID 7495255

IUPACN-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC[C@@H](C)NC(=O)CN1C(=O)COc2cc(C)ccc21
InChIInChI=1S/C15H20N2O3/c1-4-11(3)16-14(18)8-17-12-6-5-10(2)7-13(12)20-9-15(17)19/h5-7,11H,4,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyZIGSMKBHEFPRIZ-LLVKDONJSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 7495255) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID7495255
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC[C@@H](C)NC(=O)CN1C(=O)COc2cc(C)ccc21
InChIInChI=1S/C15H20N2O3/c1-4-11(3)16-14(18)8-17-12-6-5-10(2)7-13(12)20-9-15(17)19/h5-7,11H,4,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyZIGSMKBHEFPRIZ-LLVKDONJSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78872400
2-methyl-2-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 92942487
N-[2-(dimethylamino)ethyl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 143767409
N-[(2R)-butan-2-yl]-2-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 7416931
7-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 3956945
diethyl 2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanedioate
CID 39403095
N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
CID 46857198
N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide
CID 82157822
7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39161811
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 42786112
N-[(2S)-6-methylheptan-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26362101
3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 4221788

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 7495255) is N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC[C@@H](C)NC(=O)CN1C(=O)COc2cc(C)ccc21.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ZIGSMKBHEFPRIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-11(3)16-14(18)8-17-12-6-5-10(2)7-13(12)20-9-15(17)19/h5-7,11H,4,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 7495255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).