N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide

C18H18N2O4 — CID 143445598

IUPACN-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide
SMILES[H]/N=C/c1cc(Oc2ccc(C3OCCO3)cc2)ccc1NC(C)=O
InChIInChI=1S/C18H18N2O4/c1-12(21)20-17-7-6-16(10-14(17)11-19)24-15-4-2-13(3-5-15)18-22-8-9-23-18/h2-7,10-11,18-19H,8-9H2,1H3,(H,20,21)/b19-11+
InChIKeyBNEKINGNDBBLNF-YBFXNURJSA-N
MW326.35 g/mol
LogP3.48
Rot. Bonds5

About N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide

N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide (PubChem CID 143445598) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide
PubChem CID143445598
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide
SMILES[H]/N=C/c1cc(Oc2ccc(C3OCCO3)cc2)ccc1NC(C)=O
InChIInChI=1S/C18H18N2O4/c1-12(21)20-17-7-6-16(10-14(17)11-19)24-15-4-2-13(3-5-15)18-22-8-9-23-18/h2-7,10-11,18-19H,8-9H2,1H3,(H,20,21)/b19-11+
InChIKeyBNEKINGNDBBLNF-YBFXNURJSA-N
XLogP3.48
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide?
The IUPAC name of N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide (CID 143445598) is N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide is [H]/N=C/c1cc(Oc2ccc(C3OCCO3)cc2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide?
The InChIKey is BNEKINGNDBBLNF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(21)20-17-7-6-16(10-14(17)11-19)24-15-4-2-13(3-5-15)18-22-8-9-23-18/h2-7,10-11,18-19H,8-9H2,1H3,(H,20,21)/b19-11+.
What are the key properties of N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide?
N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide has a molecular weight of 326.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide is sourced from PubChem (CID 143445598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).