2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide

C16H24N4O3 — CID 8767118

IUPAC2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H24N4O3/c1-16(2,3)17-13(21)10-20(4)11-14(22)18-19-15(23)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)(H,18,22)(H,19,23)
InChIKeyRZCDBCBQWUWGQY-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.29
Rot. Bonds5

About 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide

2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide (PubChem CID 8767118) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
PubChem CID8767118
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H24N4O3/c1-16(2,3)17-13(21)10-20(4)11-14(22)18-19-15(23)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)(H,18,22)(H,19,23)
InChIKeyRZCDBCBQWUWGQY-UHFFFAOYSA-N
XLogP0.29
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467
N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8907587
N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
CID 47123165
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
1-benzamido-3-tert-butylthiourea
CID 2743091
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 8766688
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]-3-phenylpropanoate
CID 56827988

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide (CID 8767118) is 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide is CN(CC(=O)NNC(=O)c1ccccc1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide?
The InChIKey is RZCDBCBQWUWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-16(2,3)17-13(21)10-20(4)11-14(22)18-19-15(23)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)(H,18,22)(H,19,23).
What are the key properties of 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide?
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide has a molecular weight of 320.39 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 8767118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).