N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide

C11H13NO3 — CID 54403591

IUPACN-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide
SMILESO=CNCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H13NO3/c13-8-12-5-9-1-3-10(4-2-9)14-6-11-7-15-11/h1-4,8,11H,5-7H2,(H,12,13)
InChIKeyVPDCWSMYNWBMLZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.71
Rot. Bonds6

About N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide

N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide (PubChem CID 54403591) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide
PubChem CID54403591
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide
SMILESO=CNCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H13NO3/c13-8-12-5-9-1-3-10(4-2-9)14-6-11-7-15-11/h1-4,8,11H,5-7H2,(H,12,13)
InChIKeyVPDCWSMYNWBMLZ-UHFFFAOYSA-N
XLogP0.71
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
CID 59015330
CID 59015330
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
CID 163586809
bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate
CID 162782627
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide?
The IUPAC name of N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide (CID 54403591) is N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide?
The canonical SMILES for N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide is O=CNCc1ccc(OCC2CO2)cc1.
What is the InChIKey of N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide?
The InChIKey is VPDCWSMYNWBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-12-5-9-1-3-10(4-2-9)14-6-11-7-15-11/h1-4,8,11H,5-7H2,(H,12,13).
What are the key properties of N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide?
N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide has a molecular weight of 207.23 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide is sourced from PubChem (CID 54403591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).