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

C18H27FN2O2 — CID 54005845

IUPAC(3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O2/c19-15-8-4-7-14(11-15)9-10-21-18(23)17(22)16(20)12-13-5-2-1-3-6-13/h4,7-8,11,13,16-17,22H,1-3,5-6,9-10,12,20H2,(H,21,23)/t16-,17?/m1/s1
InChIKeyKOVDVIPYIYLTDH-TZHYSIJRSA-N
MW322.42 g/mol
LogP2.14
Rot. Bonds7

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

(3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide (PubChem CID 54005845) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
PubChem CID54005845
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O2/c19-15-8-4-7-14(11-15)9-10-21-18(23)17(22)16(20)12-13-5-2-1-3-6-13/h4,7-8,11,13,16-17,22H,1-3,5-6,9-10,12,20H2,(H,21,23)/t16-,17?/m1/s1
InChIKeyKOVDVIPYIYLTDH-TZHYSIJRSA-N
XLogP2.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.14
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-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide (CID 54005845) is (3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide is N[C@H](CC1CCCCC1)C(O)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
The InChIKey is KOVDVIPYIYLTDH-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H27FN2O2/c19-15-8-4-7-14(11-15)9-10-21-18(23)17(22)16(20)12-13-5-2-1-3-6-13/h4,7-8,11,13,16-17,22H,1-3,5-6,9-10,12,20H2,(H,21,23)/t16-,17?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide has a molecular weight of 322.42 g/mol, XLogP of 2.14, 7 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-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide is sourced from PubChem (CID 54005845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).