N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide

C20H24N2O3 — CID 174263460

IUPACN-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide
SMILESCON=C(NC(C)=O)C(COc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14-9-8-10-15(2)19(14)25-13-18(17-11-6-5-7-12-17)20(22-24-4)21-16(3)23/h5-12,18H,13H2,1-4H3,(H,21,22,23)
InChIKeyWBMXXYJQGSLTPE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.56
Rot. Bonds6

About N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide

N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide (PubChem CID 174263460) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide
PubChem CID174263460
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide
SMILESCON=C(NC(C)=O)C(COc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14-9-8-10-15(2)19(14)25-13-18(17-11-6-5-7-12-17)20(22-24-4)21-16(3)23/h5-12,18H,13H2,1-4H3,(H,21,22,23)
InChIKeyWBMXXYJQGSLTPE-UHFFFAOYSA-N
XLogP3.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide?
The IUPAC name of N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide (CID 174263460) is N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide.
What is the SMILES notation for N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide?
The canonical SMILES for N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide is CON=C(NC(C)=O)C(COc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide?
The InChIKey is WBMXXYJQGSLTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-9-8-10-15(2)19(14)25-13-18(17-11-6-5-7-12-17)20(22-24-4)21-16(3)23/h5-12,18H,13H2,1-4H3,(H,21,22,23).
What are the key properties of N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide?
N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide is sourced from PubChem (CID 174263460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).