N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide

C13H20N2O — CID 134419508

IUPACN-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide
SMILESCC(=O)N(N)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-10(16)15(14)12-7-5-6-11(8-12)9-13(2,3)4/h5-8H,9,14H2,1-4H3
InChIKeyWGFDKQMFXPJJLR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.50
Rot. Bonds2

About N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide

N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide (PubChem CID 134419508) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide
PubChem CID134419508
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide
SMILESCC(=O)N(N)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-10(16)15(14)12-7-5-6-11(8-12)9-13(2,3)4/h5-8H,9,14H2,1-4H3
InChIKeyWGFDKQMFXPJJLR-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide
CID 59836578
1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea
CID 117316808
3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
CID 59836650
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
3-[3-[carbamoyl(methyl)amino]phenyl]-2,2-dimethylpropanoic acid
CID 117379207
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-[3-(diethylamino)phenyl]-2,2-dimethylpropanoic acid
CID 117376875
tert-butyl N-amino-N-[3-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamate
CID 70671905
methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate
CID 149287034
(2S)-2-amino-3-[3-(dimethylamino)phenyl]propanoic acid;dihydrochloride
CID 22950701
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide (CID 134419508) is N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide is CC(=O)N(N)c1cccc(CC(C)(C)C)c1.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide?
The InChIKey is WGFDKQMFXPJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(16)15(14)12-7-5-6-11(8-12)9-13(2,3)4/h5-8H,9,14H2,1-4H3.
What are the key properties of N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide?
N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide has a molecular weight of 220.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide is sourced from PubChem (CID 134419508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).