N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide

C14H19N3O3 — CID 3108505

IUPACN-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H19N3O3/c1-9-5-7-10(8-6-9)11(18)16-17-13(20)12(19)15-14(2,3)4/h5-8H,1-4H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyVNJAGCHWCLYCDQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.67
Rot. Bonds1

About N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide

N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3108505) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID3108505
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H19N3O3/c1-9-5-7-10(8-6-9)11(18)16-17-13(20)12(19)15-14(2,3)4/h5-8H,1-4H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyVNJAGCHWCLYCDQ-UHFFFAOYSA-N
XLogP0.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
N-tert-butyl-2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 17386895
2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
CID 3108510
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 3271870
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
(Z)-3-methyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 2146278
N-tert-butyl-2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108515
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid
CID 65261439
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide (CID 3108505) is N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide is Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is VNJAGCHWCLYCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-5-7-10(8-6-9)11(18)16-17-13(20)12(19)15-14(2,3)4/h5-8H,1-4H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 277.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3108505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).