[2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate

C12H17N3O3 — CID 68917032

IUPAC[2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate
SMILESCCCNC(=O)N(Cc1ccccc1)NOC=O
InChIInChI=1S/C12H17N3O3/c1-2-8-13-12(17)15(14-18-10-16)9-11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3,(H,13,17)
InChIKeyBJYOGHYUDTZMIG-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.20
Rot. Bonds7

About [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate

[2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate (PubChem CID 68917032) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate.

Molecular Properties

Compound Name[2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate
PubChem CID68917032
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate
SMILESCCCNC(=O)N(Cc1ccccc1)NOC=O
InChIInChI=1S/C12H17N3O3/c1-2-8-13-12(17)15(14-18-10-16)9-11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3,(H,13,17)
InChIKeyBJYOGHYUDTZMIG-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate?
The IUPAC name of [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate (CID 68917032) is [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate.
What is the SMILES notation for [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate?
The canonical SMILES for [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate is CCCNC(=O)N(Cc1ccccc1)NOC=O.
What is the InChIKey of [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate?
The InChIKey is BJYOGHYUDTZMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-8-13-12(17)15(14-18-10-16)9-11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3,(H,13,17).
What are the key properties of [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate?
[2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate has a molecular weight of 251.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-2-(propylcarbamoyl)hydrazinyl] formate is sourced from PubChem (CID 68917032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).