(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide

C17H23F3N2O2 — CID 70065239

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)12-6-8-13(9-7-12)22-16(24)15(23)14(21)10-11-4-2-1-3-5-11/h6-9,11,14-15,23H,1-5,10,21H2,(H,22,24)/t14-,15?/m1/s1
InChIKeyLFAYVUAMOPBEED-GICMACPYSA-N
MW344.38 g/mol
LogP3.30
Rot. Bonds5

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 70065239) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID70065239
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)12-6-8-13(9-7-12)22-16(24)15(23)14(21)10-11-4-2-1-3-5-11/h6-9,11,14-15,23H,1-5,10,21H2,(H,22,24)/t14-,15?/m1/s1
InChIKeyLFAYVUAMOPBEED-GICMACPYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide (CID 70065239) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide is N[C@H](CC1CCCCC1)C(O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is LFAYVUAMOPBEED-GICMACPYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c18-17(19,20)12-6-8-13(9-7-12)22-16(24)15(23)14(21)10-11-4-2-1-3-5-11/h6-9,11,14-15,23H,1-5,10,21H2,(H,22,24)/t14-,15?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 344.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 70065239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).