(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide

C21H33FN2O2 — CID 58534653

IUPAC(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide
SMILESCC(C)OC(C(=O)NCCc1ccc(F)cc1)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H33FN2O2/c1-15(2)26-20(19(23)14-17-6-4-3-5-7-17)21(25)24-13-12-16-8-10-18(22)11-9-16/h8-11,15,17,19-20H,3-7,12-14,23H2,1-2H3,(H,24,25)/t19-,20?/m1/s1
InChIKeyMJXHEIXOCQXVBE-FIWHBWSRSA-N
MW364.51 g/mol
LogP3.58
Rot. Bonds9

About (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide

(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide (PubChem CID 58534653) has the molecular formula C21H33FN2O2 and a molecular weight of 364.51 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide
PubChem CID58534653
Molecular FormulaC21H33FN2O2
Molecular Weight364.51 g/mol
Exact Mass364.25
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide
SMILESCC(C)OC(C(=O)NCCc1ccc(F)cc1)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H33FN2O2/c1-15(2)26-20(19(23)14-17-6-4-3-5-7-17)21(25)24-13-12-16-8-10-18(22)11-9-16/h8-11,15,17,19-20H,3-7,12-14,23H2,1-2H3,(H,24,25)/t19-,20?/m1/s1
InChIKeyMJXHEIXOCQXVBE-FIWHBWSRSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide (CID 58534653) is (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide is CC(C)OC(C(=O)NCCc1ccc(F)cc1)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide?
The InChIKey is MJXHEIXOCQXVBE-FIWHBWSRSA-N. The full InChI is InChI=1S/C21H33FN2O2/c1-15(2)26-20(19(23)14-17-6-4-3-5-7-17)21(25)24-13-12-16-8-10-18(22)11-9-16/h8-11,15,17,19-20H,3-7,12-14,23H2,1-2H3,(H,24,25)/t19-,20?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide has a molecular weight of 364.51 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide is sourced from PubChem (CID 58534653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).