2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide

C13H21N3O2 — CID 79385433

IUPAC2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
SMILESCc1ccc(NN)c(C(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C13H21N3O2/c1-9-5-6-11(15-14)10(7-9)12(17)16(4)8-13(2,3)18/h5-7,15,18H,8,14H2,1-4H3
InChIKeyFPICZWOPYUNFLW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.12
Rot. Bonds4

About 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide

2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide (PubChem CID 79385433) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
PubChem CID79385433
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
SMILESCc1ccc(NN)c(C(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C13H21N3O2/c1-9-5-6-11(15-14)10(7-9)12(17)16(4)8-13(2,3)18/h5-7,15,18H,8,14H2,1-4H3
InChIKeyFPICZWOPYUNFLW-UHFFFAOYSA-N
XLogP1.12
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
CID 63726038
N-butyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62510784
N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62856101
N-ethyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62511241
2-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 62512507
N-(3,5-dimethylphenyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62512821
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62511147
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
CID 102705736
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide
CID 111697880
N-cyclopentyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62513481
5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 62236200

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
The IUPAC name of 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide (CID 79385433) is 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide is Cc1ccc(NN)c(C(=O)N(C)CC(C)(C)O)c1.
What is the InChIKey of 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
The InChIKey is FPICZWOPYUNFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-5-6-11(15-14)10(7-9)12(17)16(4)8-13(2,3)18/h5-7,15,18H,8,14H2,1-4H3.
What are the key properties of 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 79385433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).