N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide

C16H23FN2O2 — CID 107687996

IUPACN-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)19-15(20)10-21-14-7-4-11(8-13(14)17)9-18-12-5-6-12/h4,7-8,12,18H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyOVKOYRAKSAQKGM-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.37
Rot. Bonds6

About N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide

N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide (PubChem CID 107687996) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
PubChem CID107687996
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)19-15(20)10-21-14-7-4-11(8-13(14)17)9-18-12-5-6-12/h4,7-8,12,18H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyOVKOYRAKSAQKGM-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688184
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
2-[4-bromo-2-[(cycloheptylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053952
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
2-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-N-prop-2-ynylacetamide
CID 107688451
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide (CID 107687996) is N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide?
The InChIKey is OVKOYRAKSAQKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)19-15(20)10-21-14-7-4-11(8-13(14)17)9-18-12-5-6-12/h4,7-8,12,18H,5-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide?
N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide is sourced from PubChem (CID 107687996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).