N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide

C15H29FN2O4 — CID 142616547

IUPACN-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
SMILESCOCC(=O)NCCCCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H29FN2O4/c1-12(2)15(20)18-9-13(16)10-22-8-6-4-5-7-17-14(19)11-21-3/h12-13H,4-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyTYVOGAMVCKBBKS-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.05
Rot. Bonds13

About N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide (PubChem CID 142616547) has the molecular formula C15H29FN2O4 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
PubChem CID142616547
Molecular FormulaC15H29FN2O4
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC NameN-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
SMILESCOCC(=O)NCCCCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H29FN2O4/c1-12(2)15(20)18-9-13(16)10-22-8-6-4-5-7-17-14(19)11-21-3/h12-13H,4-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyTYVOGAMVCKBBKS-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.05
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-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide (CID 142616547) is N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide is COCC(=O)NCCCCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The InChIKey is TYVOGAMVCKBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O4/c1-12(2)15(20)18-9-13(16)10-22-8-6-4-5-7-17-14(19)11-21-3/h12-13H,4-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 1.05, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 142616547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).