2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide

C15H24N2O2 — CID 54869691

IUPAC2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
SMILESCCCC(N)C(=O)N(C)CCOc1ccccc1C
InChIInChI=1S/C15H24N2O2/c1-4-7-13(16)15(18)17(3)10-11-19-14-9-6-5-8-12(14)2/h5-6,8-9,13H,4,7,10-11,16H2,1-3H3
InChIKeyIUIRCZYSAJUIFX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds7

About 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide

2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide (PubChem CID 54869691) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
PubChem CID54869691
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
SMILESCCCC(N)C(=O)N(C)CCOc1ccccc1C
InChIInChI=1S/C15H24N2O2/c1-4-7-13(16)15(18)17(3)10-11-19-14-9-6-5-8-12(14)2/h5-6,8-9,13H,4,7,10-11,16H2,1-3H3
InChIKeyIUIRCZYSAJUIFX-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide?
The IUPAC name of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide (CID 54869691) is 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide is CCCC(N)C(=O)N(C)CCOc1ccccc1C.
What is the InChIKey of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide?
The InChIKey is IUIRCZYSAJUIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-7-13(16)15(18)17(3)10-11-19-14-9-6-5-8-12(14)2/h5-6,8-9,13H,4,7,10-11,16H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide?
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide is sourced from PubChem (CID 54869691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).