5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide

C13H16ClNO2 — CID 123711336

IUPAC5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide
SMILESCON(C)C(=O)CCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-15(17-2)13(16)6-4-3-5-11-7-9-12(14)10-8-11/h3,5,7-10H,4,6H2,1-2H3
InChIKeyPLGLRCYWPBLRJM-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.15
Rot. Bonds5

About 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide

5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide (PubChem CID 123711336) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide
PubChem CID123711336
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide
SMILESCON(C)C(=O)CCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-15(17-2)13(16)6-4-3-5-11-7-9-12(14)10-8-11/h3,5,7-10H,4,6H2,1-2H3
InChIKeyPLGLRCYWPBLRJM-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide?
The IUPAC name of 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide (CID 123711336) is 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide is CON(C)C(=O)CCC=Cc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide?
The InChIKey is PLGLRCYWPBLRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15(17-2)13(16)6-4-3-5-11-7-9-12(14)10-8-11/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide?
5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide has a molecular weight of 253.73 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide is sourced from PubChem (CID 123711336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).