N'-(2,2-dimethylbutanoyl)benzohydrazide

C13H18N2O2 — CID 129281767

IUPACN'-(2,2-dimethylbutanoyl)benzohydrazide
SMILESCCC(C)(C)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-4-13(2,3)12(17)15-14-11(16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyJIPZXSAHJWLGPV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.88
Rot. Bonds3

About N'-(2,2-dimethylbutanoyl)benzohydrazide

N'-(2,2-dimethylbutanoyl)benzohydrazide (PubChem CID 129281767) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-(2,2-dimethylbutanoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2,2-dimethylbutanoyl)benzohydrazide
PubChem CID129281767
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-(2,2-dimethylbutanoyl)benzohydrazide
SMILESCCC(C)(C)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-4-13(2,3)12(17)15-14-11(16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyJIPZXSAHJWLGPV-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)benzohydrazide
CID 67519847
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide
CID 22084428
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
benzohydrazide;propane
CID 90709051
1-benzamido-3-tert-butylthiourea
CID 2743091
N-ethylbenzamide
CID 160772566
ethyl (2S)-2-(2-benzoylhydrazinyl)-3,3-dimethylpentanoate
CID 142714254
N'-(1-ethoxy-1-phenylethyl)benzohydrazide
CID 142685922
N-diethylboranylbenzamide
CID 568799

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylbutanoyl)benzohydrazide?
The IUPAC name of N'-(2,2-dimethylbutanoyl)benzohydrazide (CID 129281767) is N'-(2,2-dimethylbutanoyl)benzohydrazide.
What is the SMILES notation for N'-(2,2-dimethylbutanoyl)benzohydrazide?
The canonical SMILES for N'-(2,2-dimethylbutanoyl)benzohydrazide is CCC(C)(C)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(2,2-dimethylbutanoyl)benzohydrazide?
The InChIKey is JIPZXSAHJWLGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-13(2,3)12(17)15-14-11(16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2,2-dimethylbutanoyl)benzohydrazide?
N'-(2,2-dimethylbutanoyl)benzohydrazide has a molecular weight of 234.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylbutanoyl)benzohydrazide is sourced from PubChem (CID 129281767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).