2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid

C20H41FN2O7 — CID 138696075

IUPAC2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(OCCOCCOCCOCCOCCN(C(=O)O)C(C)(C)C)C(F)CN
InChIInChI=1S/C20H41FN2O7/c1-19(2,3)23(18(24)25)6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-20(4,5)17(21)16-22/h17H,6-16,22H2,1-5H3,(H,24,25)
InChIKeyKBTWASKNTYAJTJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.92
Rot. Bonds18

About 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid

2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid (PubChem CID 138696075) has the molecular formula C20H41FN2O7 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
PubChem CID138696075
Molecular FormulaC20H41FN2O7
Molecular Weight440.55 g/mol
Exact Mass440.29
IUPAC Name2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(OCCOCCOCCOCCOCCN(C(=O)O)C(C)(C)C)C(F)CN
InChIInChI=1S/C20H41FN2O7/c1-19(2,3)23(18(24)25)6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-20(4,5)17(21)16-22/h17H,6-16,22H2,1-5H3,(H,24,25)
InChIKeyKBTWASKNTYAJTJ-UHFFFAOYSA-N
XLogP1.92
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
CID 98007656
tert-butyl(2-propoxyethyl)carbamic acid
CID 87579706
2-aminooxyethyl(tert-butyl)carbamic acid
CID 86619024
2-[2-[[amino(methylsulfanyl)methylidene]amino]ethoxy]ethyl-tert-butylcarbamic acid
CID 118380303
2-(2-aminoethoxy)ethyl-[2-[2-[3-fluoro-2-methyl-4-(phenylmethoxycarbonylamino)butan-2-yl]oxyethoxy]ethyl]carbamic acid
CID 170431395
2-[4-(dibenzylamino)-3-fluoro-2-methylbutan-2-yl]oxyethanol;N,N-dibenzyl-2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-fluoro-3-methyl-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]butan-1-amine;2-[2-(2-propoxyethoxy)ethoxy]ethyl methanesulfonate
CID 159229703
[(3S)-3-aminobutyl]-tert-butylcarbamic acid
CID 97170377
(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid
CID 86619449
2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
CID 146598746
benzyl N-[3-[2-(2-aminoethoxy)ethoxy]-2-fluoro-3-methylbutyl]carbamate
CID 138694418
tert-butyl-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]carbamic acid
CID 123855093
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid (CID 138696075) is 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid is CC(C)(OCCOCCOCCOCCOCCN(C(=O)O)C(C)(C)C)C(F)CN.
What is the InChIKey of 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The InChIKey is KBTWASKNTYAJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FN2O7/c1-19(2,3)23(18(24)25)6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-20(4,5)17(21)16-22/h17H,6-16,22H2,1-5H3,(H,24,25).
What are the key properties of 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid has a molecular weight of 440.55 g/mol, XLogP of 1.92, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 138696075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).