N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide

C14H29FN2O3 — CID 138728409

IUPACN-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCOCCNC(C)C
InChIInChI=1S/C14H29FN2O3/c1-11(2)16-6-7-19-8-9-20-14(4,5)13(15)10-17-12(3)18/h11,13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyWJHRWTHJJRYXOF-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.27
Rot. Bonds11

About N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide

N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide (PubChem CID 138728409) has the molecular formula C14H29FN2O3 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide
PubChem CID138728409
Molecular FormulaC14H29FN2O3
Molecular Weight292.39 g/mol
Exact Mass292.22
IUPAC NameN-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCOCCNC(C)C
InChIInChI=1S/C14H29FN2O3/c1-11(2)16-6-7-19-8-9-20-14(4,5)13(15)10-17-12(3)18/h11,13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyWJHRWTHJJRYXOF-UHFFFAOYSA-N
XLogP1.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.27
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-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide (CID 138728409) is N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide is CC(=O)NCC(F)C(C)(C)OCCOCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide?
The InChIKey is WJHRWTHJJRYXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O3/c1-11(2)16-6-7-19-8-9-20-14(4,5)13(15)10-17-12(3)18/h11,13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide?
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide has a molecular weight of 292.39 g/mol, XLogP of 1.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]acetamide is sourced from PubChem (CID 138728409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).