N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide

C14H22N2O3 — CID 62639493

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(C)cc1OCCOC
InChIInChI=1S/C14H22N2O3/c1-10-5-6-12(16-14(17)11(2)15-3)13(9-10)19-8-7-18-4/h5-6,9,11,15H,7-8H2,1-4H3,(H,16,17)
InChIKeySFIUJZBMIQVYNV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide (PubChem CID 62639493) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
PubChem CID62639493
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(C)cc1OCCOC
InChIInChI=1S/C14H22N2O3/c1-10-5-6-12(16-14(17)11(2)15-3)13(9-10)19-8-7-18-4/h5-6,9,11,15H,7-8H2,1-4H3,(H,16,17)
InChIKeySFIUJZBMIQVYNV-UHFFFAOYSA-N
XLogP1.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide (CID 62639493) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(C)cc1OCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide?
The InChIKey is SFIUJZBMIQVYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-5-6-12(16-14(17)11(2)15-3)13(9-10)19-8-7-18-4/h5-6,9,11,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide is sourced from PubChem (CID 62639493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).