N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide

C15H23NO2 — CID 46933421

IUPACN-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCON(C)C(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)10-13-6-8-14(9-7-13)12(3)15(17)16(4)18-5/h6-9,11-12H,10H2,1-5H3
InChIKeyFQOSZELLQXJGPI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.01
Rot. Bonds5

About N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide

N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 46933421) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID46933421
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCON(C)C(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)10-13-6-8-14(9-7-13)12(3)15(17)16(4)18-5/h6-9,11-12H,10H2,1-5H3
InChIKeyFQOSZELLQXJGPI-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.01
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 N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide (CID 46933421) is N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide is CON(C)C(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is FQOSZELLQXJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)10-13-6-8-14(9-7-13)12(3)15(17)16(4)18-5/h6-9,11-12H,10H2,1-5H3.
What are the key properties of N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 46933421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).