N'-(2-amino-2-methylpropanoyl)benzohydrazide

C11H15N3O2 — CID 67519847

IUPACN'-(2-amino-2-methylpropanoyl)benzohydrazide
SMILESCC(C)(N)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-11(2,12)10(16)14-13-9(15)8-6-4-3-5-7-8/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLXENFKJOBCGHJU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.18
Rot. Bonds2

About N'-(2-amino-2-methylpropanoyl)benzohydrazide

N'-(2-amino-2-methylpropanoyl)benzohydrazide (PubChem CID 67519847) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-(2-amino-2-methylpropanoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-amino-2-methylpropanoyl)benzohydrazide
PubChem CID67519847
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN'-(2-amino-2-methylpropanoyl)benzohydrazide
SMILESCC(C)(N)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-11(2,12)10(16)14-13-9(15)8-6-4-3-5-7-8/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLXENFKJOBCGHJU-UHFFFAOYSA-N
XLogP0.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N'-(2,2-dimethylbutanoyl)benzohydrazide
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N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
1-benzamido-3-tert-butylthiourea
CID 2743091
benzamidothiourea
CID 781748
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869
benzohydrazide;propane
CID 90709051
2-amino-1-benzamidoguanidine
CID 55280611
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-methylpropanoyl)benzohydrazide?
The IUPAC name of N'-(2-amino-2-methylpropanoyl)benzohydrazide (CID 67519847) is N'-(2-amino-2-methylpropanoyl)benzohydrazide.
What is the SMILES notation for N'-(2-amino-2-methylpropanoyl)benzohydrazide?
The canonical SMILES for N'-(2-amino-2-methylpropanoyl)benzohydrazide is CC(C)(N)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(2-amino-2-methylpropanoyl)benzohydrazide?
The InChIKey is LXENFKJOBCGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2,12)10(16)14-13-9(15)8-6-4-3-5-7-8/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2-amino-2-methylpropanoyl)benzohydrazide?
N'-(2-amino-2-methylpropanoyl)benzohydrazide has a molecular weight of 221.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-methylpropanoyl)benzohydrazide is sourced from PubChem (CID 67519847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).