N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide

C13H19N3O2 — CID 47123165

IUPACN'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
SMILESCC(C)N(C)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-10(2)16(3)9-12(17)14-15-13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyQDUWQDFQXXCHLF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds4

About N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide

N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide (PubChem CID 47123165) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
PubChem CID47123165
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
SMILESCC(C)N(C)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-10(2)16(3)9-12(17)14-15-13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyQDUWQDFQXXCHLF-UHFFFAOYSA-N
XLogP0.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8767118
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8907587
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897547
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
2-methyl-3-[methyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 62611631

Frequently Asked Questions

What is the IUPAC name of N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide (CID 47123165) is N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide is CC(C)N(C)CC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide?
The InChIKey is QDUWQDFQXXCHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)16(3)9-12(17)14-15-13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide?
N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide is sourced from PubChem (CID 47123165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).