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

C15H31FN2O3 — CID 138727265

IUPACN-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
SMILESCCC(=O)NCC(F)C(C)(C)OCCOCCNC(C)C
InChIInChI=1S/C15H31FN2O3/c1-6-14(19)18-11-13(16)15(4,5)21-10-9-20-8-7-17-12(2)3/h12-13,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyQZRYMMPHVIXDBR-UHFFFAOYSA-N
MW306.42 g/mol
LogP1.66
Rot. Bonds12

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

N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide (PubChem CID 138727265) has the molecular formula C15H31FN2O3 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
PubChem CID138727265
Molecular FormulaC15H31FN2O3
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
SMILESCCC(=O)NCC(F)C(C)(C)OCCOCCNC(C)C
InChIInChI=1S/C15H31FN2O3/c1-6-14(19)18-11-13(16)15(4,5)21-10-9-20-8-7-17-12(2)3/h12-13,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyQZRYMMPHVIXDBR-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 51.66
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]propanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide (CID 138727265) is N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide is CCC(=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]propanamide?
The InChIKey is QZRYMMPHVIXDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O3/c1-6-14(19)18-11-13(16)15(4,5)21-10-9-20-8-7-17-12(2)3/h12-13,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide?
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide has a molecular weight of 306.42 g/mol, XLogP of 1.66, 12 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]propanamide is sourced from PubChem (CID 138727265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).