2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide

C14H22N2O2 — CID 3051085

IUPAC2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide
SMILESCOCCNC(C)C(=O)N(C)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-11-7-5-6-8-13(11)16(3)14(17)12(2)15-9-10-18-4/h5-8,12,15H,9-10H2,1-4H3
InChIKeyBCLUPEMQIFVZMA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds6

About 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide

2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide (PubChem CID 3051085) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide
PubChem CID3051085
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide
SMILESCOCCNC(C)C(=O)N(C)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-11-7-5-6-8-13(11)16(3)14(17)12(2)15-9-10-18-4/h5-8,12,15H,9-10H2,1-4H3
InChIKeyBCLUPEMQIFVZMA-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide (CID 3051085) is 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide is COCCNC(C)C(=O)N(C)c1ccccc1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide?
The InChIKey is BCLUPEMQIFVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-7-5-6-8-13(11)16(3)14(17)12(2)15-9-10-18-4/h5-8,12,15H,9-10H2,1-4H3.
What are the key properties of 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide?
2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 3051085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).