2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide

C14H19N3O3 — CID 79630892

IUPAC2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide
SMILESCC1Oc2ccccc2N(CC(C)(C)C(=O)NN)C1=O
InChIInChI=1S/C14H19N3O3/c1-9-12(18)17(8-14(2,3)13(19)16-15)10-6-4-5-7-11(10)20-9/h4-7,9H,8,15H2,1-3H3,(H,16,19)
InChIKeyZXNFNVFUDOUKNP-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.82
Rot. Bonds3

About 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide

2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide (PubChem CID 79630892) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide
PubChem CID79630892
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide
SMILESCC1Oc2ccccc2N(CC(C)(C)C(=O)NN)C1=O
InChIInChI=1S/C14H19N3O3/c1-9-12(18)17(8-14(2,3)13(19)16-15)10-6-4-5-7-11(10)20-9/h4-7,9H,8,15H2,1-3H3,(H,16,19)
InChIKeyZXNFNVFUDOUKNP-UHFFFAOYSA-N
XLogP0.82
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
N-(1-amino-2-methylpropan-2-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119523843
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-methyl-4-(2-oxobutyl)-1,4-benzoxazin-3-one
CID 62038277
4-[2-(bromomethyl)-3,3-dimethylbutyl]-2-methyl-1,4-benzoxazin-3-one
CID 65014349
4-(5-chloropentyl)-2-methyl-1,4-benzoxazin-3-one
CID 43348370
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
[2-(methylamino)-2-oxoethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46649329
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 61387963
2-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-benzoxazin-3-one
CID 61387986
N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134063240

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide (CID 79630892) is 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide is CC1Oc2ccccc2N(CC(C)(C)C(=O)NN)C1=O.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide?
The InChIKey is ZXNFNVFUDOUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-12(18)17(8-14(2,3)13(19)16-15)10-6-4-5-7-11(10)20-9/h4-7,9H,8,15H2,1-3H3,(H,16,19).
What are the key properties of 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide?
2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide has a molecular weight of 277.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide is sourced from PubChem (CID 79630892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).