N-[[2-(2-methylphenoxy)acetyl]amino]formamide

C10H12N2O3 — CID 3118470

IUPACN-[[2-(2-methylphenoxy)acetyl]amino]formamide
SMILESCc1ccccc1OCC(=O)NNC=O
InChIInChI=1S/C10H12N2O3/c1-8-4-2-3-5-9(8)15-6-10(14)12-11-7-13/h2-5,7H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyFHUFGHCSXHMTPW-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.15
Rot. Bonds5

About N-[[2-(2-methylphenoxy)acetyl]amino]formamide

N-[[2-(2-methylphenoxy)acetyl]amino]formamide (PubChem CID 3118470) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[[2-(2-methylphenoxy)acetyl]amino]formamide.

Molecular Properties

Compound NameN-[[2-(2-methylphenoxy)acetyl]amino]formamide
PubChem CID3118470
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[[2-(2-methylphenoxy)acetyl]amino]formamide
SMILESCc1ccccc1OCC(=O)NNC=O
InChIInChI=1S/C10H12N2O3/c1-8-4-2-3-5-9(8)15-6-10(14)12-11-7-13/h2-5,7H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyFHUFGHCSXHMTPW-UHFFFAOYSA-N
XLogP0.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[[2-(2-methylphenoxy)acetyl]amino]formamide?
The IUPAC name of N-[[2-(2-methylphenoxy)acetyl]amino]formamide (CID 3118470) is N-[[2-(2-methylphenoxy)acetyl]amino]formamide.
What is the SMILES notation for N-[[2-(2-methylphenoxy)acetyl]amino]formamide?
The canonical SMILES for N-[[2-(2-methylphenoxy)acetyl]amino]formamide is Cc1ccccc1OCC(=O)NNC=O.
What is the InChIKey of N-[[2-(2-methylphenoxy)acetyl]amino]formamide?
The InChIKey is FHUFGHCSXHMTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-8-4-2-3-5-9(8)15-6-10(14)12-11-7-13/h2-5,7H,6H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-[[2-(2-methylphenoxy)acetyl]amino]formamide?
N-[[2-(2-methylphenoxy)acetyl]amino]formamide has a molecular weight of 208.22 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenoxy)acetyl]amino]formamide is sourced from PubChem (CID 3118470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).