N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide

C18H25F2NO2 — CID 20790252

IUPACN-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C18H25F2NO2/c1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22)
InChIKeyKWGOVAIEDPDKQU-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.95
Rot. Bonds6

About N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide

N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide (PubChem CID 20790252) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide
PubChem CID20790252
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC NameN-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C18H25F2NO2/c1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22)
InChIKeyKWGOVAIEDPDKQU-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide (CID 20790252) is N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide is CC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
The InChIKey is KWGOVAIEDPDKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2/c1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide has a molecular weight of 325.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide is sourced from PubChem (CID 20790252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).