3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide

C12H14N2O3 — CID 10609722

IUPAC3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCON(C)C(=O)/C=C/c1cccc(C(N)=O)c1
InChIInChI=1S/C12H14N2O3/c1-14(17-2)11(15)7-6-9-4-3-5-10(8-9)12(13)16/h3-8H,1-2H3,(H2,13,16)/b7-6+
InChIKeyOBSOHZUAZQRCJD-VOTSOKGWSA-N
MW234.25 g/mol
LogP0.82
Rot. Bonds4

About 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide

3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide (PubChem CID 10609722) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound Name3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
PubChem CID10609722
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCON(C)C(=O)/C=C/c1cccc(C(N)=O)c1
InChIInChI=1S/C12H14N2O3/c1-14(17-2)11(15)7-6-9-4-3-5-10(8-9)12(13)16/h3-8H,1-2H3,(H2,13,16)/b7-6+
InChIKeyOBSOHZUAZQRCJD-VOTSOKGWSA-N
XLogP0.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide (CID 10609722) is 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide is CON(C)C(=O)/C=C/c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is OBSOHZUAZQRCJD-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14(17-2)11(15)7-6-9-4-3-5-10(8-9)12(13)16/h3-8H,1-2H3,(H2,13,16)/b7-6+.
What are the key properties of 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide?
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 234.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 10609722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).