N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C14H19N3O3 — CID 82032385

IUPACN-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCCN)C(=O)C(C)O2
InChIInChI=1S/C14H19N3O3/c1-9-3-4-12-11(7-9)17(14(19)10(2)20-12)8-13(18)16-6-5-15/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyHOYOBRWINTZIFO-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.18
Rot. Bonds4

About N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 82032385) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID82032385
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCCN)C(=O)C(C)O2
InChIInChI=1S/C14H19N3O3/c1-9-3-4-12-11(7-9)17(14(19)10(2)20-12)8-13(18)16-6-5-15/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyHOYOBRWINTZIFO-UHFFFAOYSA-N
XLogP0.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051566
ethyl 2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 7242054
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
CID 3225025
2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N,N-dimethylacetamide
CID 95051568
(2R)-2,6-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1431536
4-[[2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409301
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)propanamide
CID 15992925
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 18132156
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 4083989
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
2-[6-(hydroxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 82338257

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 82032385) is N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1ccc2c(c1)N(CC(=O)NCCN)C(=O)C(C)O2.
What is the InChIKey of N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is HOYOBRWINTZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-4-12-11(7-9)17(14(19)10(2)20-12)8-13(18)16-6-5-15/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 82032385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).