N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide

C15H31FN2O3 — CID 138467265

IUPACN-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C15H31FN2O3/c1-12(2)21-11-14(19)17-7-6-8-20-10-13(16)9-18-15(3,4)5/h12-13,18H,6-11H2,1-5H3,(H,17,19)
InChIKeySRJBTOVJTQXSNK-UHFFFAOYSA-N
MW306.42 g/mol
LogP1.66
Rot. Bonds11

About N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide

N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide (PubChem CID 138467265) has the molecular formula C15H31FN2O3 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
PubChem CID138467265
Molecular FormulaC15H31FN2O3
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C15H31FN2O3/c1-12(2)21-11-14(19)17-7-6-8-20-10-13(16)9-18-15(3,4)5/h12-13,18H,6-11H2,1-5H3,(H,17,19)
InChIKeySRJBTOVJTQXSNK-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide (CID 138467265) is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCOCC(F)CNC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide?
The InChIKey is SRJBTOVJTQXSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O3/c1-12(2)21-11-14(19)17-7-6-8-20-10-13(16)9-18-15(3,4)5/h12-13,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide?
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide has a molecular weight of 306.42 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 138467265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).