(2-formamido-4-phenoxybutyl) formate

C12H15NO4 — CID 54572717

IUPAC(2-formamido-4-phenoxybutyl) formate
SMILESO=CNC(CCOc1ccccc1)COC=O
InChIInChI=1S/C12H15NO4/c14-9-13-11(8-16-10-15)6-7-17-12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,13,14)
InChIKeyZYLGYMHXMMJJMU-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.74
Rot. Bonds9

About (2-formamido-4-phenoxybutyl) formate

(2-formamido-4-phenoxybutyl) formate (PubChem CID 54572717) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2-formamido-4-phenoxybutyl) formate.

Molecular Properties

Compound Name(2-formamido-4-phenoxybutyl) formate
PubChem CID54572717
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name(2-formamido-4-phenoxybutyl) formate
SMILESO=CNC(CCOc1ccccc1)COC=O
InChIInChI=1S/C12H15NO4/c14-9-13-11(8-16-10-15)6-7-17-12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,13,14)
InChIKeyZYLGYMHXMMJJMU-UHFFFAOYSA-N
XLogP0.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-formamido-4-phenoxybutyl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-formamido-4-phenoxybutyl) formate?
The IUPAC name of (2-formamido-4-phenoxybutyl) formate (CID 54572717) is (2-formamido-4-phenoxybutyl) formate.
What is the SMILES notation for (2-formamido-4-phenoxybutyl) formate?
The canonical SMILES for (2-formamido-4-phenoxybutyl) formate is O=CNC(CCOc1ccccc1)COC=O.
What is the InChIKey of (2-formamido-4-phenoxybutyl) formate?
The InChIKey is ZYLGYMHXMMJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-13-11(8-16-10-15)6-7-17-12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,13,14).
What are the key properties of (2-formamido-4-phenoxybutyl) formate?
(2-formamido-4-phenoxybutyl) formate has a molecular weight of 237.26 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formamido-4-phenoxybutyl) formate is sourced from PubChem (CID 54572717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).