N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide

C15H29FN2O4 — CID 166800940

IUPACN-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCCCCNC(=O)COC(C)C
InChIInChI=1S/C15H29FN2O4/c1-12(2)22-11-15(20)17-7-5-4-6-8-21-10-14(16)9-18-13(3)19/h12,14H,4-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRPOVXORYSNFZBD-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.19
Rot. Bonds13

About N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide

N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide (PubChem CID 166800940) has the molecular formula C15H29FN2O4 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide
PubChem CID166800940
Molecular FormulaC15H29FN2O4
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC NameN-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCCCCNC(=O)COC(C)C
InChIInChI=1S/C15H29FN2O4/c1-12(2)22-11-15(20)17-7-5-4-6-8-21-10-14(16)9-18-13(3)19/h12,14H,4-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRPOVXORYSNFZBD-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
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-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide (CID 166800940) is N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide is CC(=O)NCC(F)COCCCCCNC(=O)COC(C)C.
What is the InChIKey of N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide?
The InChIKey is RPOVXORYSNFZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O4/c1-12(2)22-11-15(20)17-7-5-4-6-8-21-10-14(16)9-18-13(3)19/h12,14H,4-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide?
N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide has a molecular weight of 320.41 g/mol, XLogP of 1.19, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 166800940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).