[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium

C15H22FN2O2+ — CID 148846324

IUPAC[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium
SMILESCC(C)(C)NC(=O)c1ccc(OCC(=CF)C[NH3+])cc1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/p+1
InChIKeyOWNSXNXYELKDSO-UHFFFAOYSA-O
MW281.35 g/mol
LogP1.69
Rot. Bonds5

About [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium

[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium (PubChem CID 148846324) has the molecular formula C15H22FN2O2+ and a molecular weight of 281.35 g/mol. Its IUPAC name is [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium.

Molecular Properties

Compound Name[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium
PubChem CID148846324
Molecular FormulaC15H22FN2O2+
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium
SMILESCC(C)(C)NC(=O)c1ccc(OCC(=CF)C[NH3+])cc1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/p+1
InChIKeyOWNSXNXYELKDSO-UHFFFAOYSA-O
XLogP1.69
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium with MolForge

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Related Compounds

4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247
4-[2-(aminomethyl)-3-chloroprop-2-enoxy]-N-tert-butylbenzamide
CID 123775448
N-tert-butyl-4-(2-fluoroethoxy)benzamide
CID 130197731
N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide
CID 159419183
4-butoxy-N-tert-butylbenzamide
CID 60643031
1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
CID 158571654
4-[3-(aminomethyl)-4-fluorobut-3-en-2-yl]oxy-N-tert-butylbenzamide
CID 123727747
4-[(Z)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 146417752
4-[(E)-3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]benzoic acid
CID 153384791
tert-butyl 5-fluoro-4-[[4-[(4-fluorophenyl)carbamoyl]phenoxy]methyl]pent-4-enoate
CID 158619679
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzenesulfonamide
CID 118117304

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium?
The IUPAC name of [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium (CID 148846324) is [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium.
What is the SMILES notation for [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium?
The canonical SMILES for [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium is CC(C)(C)NC(=O)c1ccc(OCC(=CF)C[NH3+])cc1.
What is the InChIKey of [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium?
The InChIKey is OWNSXNXYELKDSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/p+1.
What are the key properties of [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium?
[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium has a molecular weight of 281.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium is sourced from PubChem (CID 148846324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).