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

C14H27FN2O4 — CID 155741111

IUPACN-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(F)COCCCCCNC(=O)CO
InChIInChI=1S/C14H27FN2O4/c1-11(2)14(20)17-8-12(15)10-21-7-5-3-4-6-16-13(19)9-18/h11-12,18H,3-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCGLUAZZJEVMPRH-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.39
Rot. Bonds12

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

N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide (PubChem CID 155741111) has the molecular formula C14H27FN2O4 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
PubChem CID155741111
Molecular FormulaC14H27FN2O4
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC NameN-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(F)COCCCCCNC(=O)CO
InChIInChI=1S/C14H27FN2O4/c1-11(2)14(20)17-8-12(15)10-21-7-5-3-4-6-16-13(19)9-18/h11-12,18H,3-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCGLUAZZJEVMPRH-UHFFFAOYSA-N
XLogP0.39
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.39
H-Bond Donors ≤ 53
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-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide (CID 155741111) is N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide is CC(C)C(=O)NCC(F)COCCCCCNC(=O)CO.
What is the InChIKey of N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The InChIKey is CGLUAZZJEVMPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O4/c1-11(2)14(20)17-8-12(15)10-21-7-5-3-4-6-16-13(19)9-18/h11-12,18H,3-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide has a molecular weight of 306.38 g/mol, XLogP of 0.39, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[5-[(2-hydroxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 155741111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).