N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide

C13H17NO3 — CID 25139095

IUPACN-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO3/c1-9(2)13(15)14(3)10-6-11(16-4)8-12(7-10)17-5/h6-8H,1H2,2-5H3
InChIKeyUIUKXDADFFSMGA-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.24
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide

N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide (PubChem CID 25139095) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide
PubChem CID25139095
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO3/c1-9(2)13(15)14(3)10-6-11(16-4)8-12(7-10)17-5/h6-8H,1H2,2-5H3
InChIKeyUIUKXDADFFSMGA-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide (CID 25139095) is N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide?
The InChIKey is UIUKXDADFFSMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)13(15)14(3)10-6-11(16-4)8-12(7-10)17-5/h6-8H,1H2,2-5H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide?
N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 25139095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).