N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide

C20H30FNO3 — CID 176701362

IUPACN-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC(C)c1ccc(F)cc1OCCOCCNC(=O)C1CC(C)(C)C1
InChIInChI=1S/C20H30FNO3/c1-14(2)17-6-5-16(21)11-18(17)25-10-9-24-8-7-22-19(23)15-12-20(3,4)13-15/h5-6,11,14-15H,7-10,12-13H2,1-4H3,(H,22,23)
InChIKeyFLHBTDNTYRMEGB-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.90
Rot. Bonds9

About N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide

N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide (PubChem CID 176701362) has the molecular formula C20H30FNO3 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
PubChem CID176701362
Molecular FormulaC20H30FNO3
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC NameN-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC(C)c1ccc(F)cc1OCCOCCNC(=O)C1CC(C)(C)C1
InChIInChI=1S/C20H30FNO3/c1-14(2)17-6-5-16(21)11-18(17)25-10-9-24-8-7-22-19(23)15-12-20(3,4)13-15/h5-6,11,14-15H,7-10,12-13H2,1-4H3,(H,22,23)
InChIKeyFLHBTDNTYRMEGB-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide
CID 176700307
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
CID 176701242
1-(2-chloroacetyl)-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine-3-carboxamide
CID 176701492
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl) N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 176700782
(1-prop-2-enoylpyrrolidin-2-yl)methyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 176700276
N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 176700728
tert-butyl N-[2-[2-(3,5-difluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-N-methylcarbamate;ethane
CID 176701510
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681
[(3S,4R)-4-methyl-1-prop-2-enoylpyrrolidin-3-yl] N-[2-[2-[5-fluoro-2-(1-iodoethyl)phenoxy]ethoxy]ethyl]carbamate
CID 176701164

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide (CID 176701362) is N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide is CC(C)c1ccc(F)cc1OCCOCCNC(=O)C1CC(C)(C)C1.
What is the InChIKey of N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is FLHBTDNTYRMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO3/c1-14(2)17-6-5-16(21)11-18(17)25-10-9-24-8-7-22-19(23)15-12-20(3,4)13-15/h5-6,11,14-15H,7-10,12-13H2,1-4H3,(H,22,23).
What are the key properties of N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide?
N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 351.46 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 176701362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).