sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide

C12H20N3NaO — CID 175548560

IUPACsodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.[H-].[Na+]
InChIInChI=1S/C12H19N3O.Na.H/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);;/q;+1;-1
InChIKeyRFJCYBJJSXBXKY-UHFFFAOYSA-N
MW245.30 g/mol
LogP-1.83
Rot. Bonds5

About sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide

sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide (PubChem CID 175548560) has the molecular formula C12H20N3NaO and a molecular weight of 245.30 g/mol. Its IUPAC name is sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Namesodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
PubChem CID175548560
Molecular FormulaC12H20N3NaO
Molecular Weight245.30 g/mol
Exact Mass245.15
IUPAC Namesodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.[H-].[Na+]
InChIInChI=1S/C12H19N3O.Na.H/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);;/q;+1;-1
InChIKeyRFJCYBJJSXBXKY-UHFFFAOYSA-N
XLogP-1.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.83
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

4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
CID 9703
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene
CID 174939500
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine
CID 174933435
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 87601837
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-methyl-4-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide
CID 111125420
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide (CID 175548560) is sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide is CNNCc1ccc(C(=O)NC(C)C)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is RFJCYBJJSXBXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.Na.H/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 245.30 g/mol, XLogP of -1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 175548560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).