(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide

C24H28FNO2 — CID 164579278

IUPAC(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide
SMILESC=C[C@@H](OC1CCCCC1)[C@H](C(=O)NCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C24H28FNO2/c1-2-22(28-21-14-7-4-8-15-21)23(19-12-9-13-20(25)16-19)24(27)26-17-18-10-5-3-6-11-18/h2-3,5-6,9-13,16,21-23H,1,4,7-8,14-15,17H2,(H,26,27)/t22-,23-/m1/s1
InChIKeyRHNZRGWPTFUFME-DHIUTWEWSA-N
MW381.49 g/mol
LogP5.13
Rot. Bonds8

About (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide

(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide (PubChem CID 164579278) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide
PubChem CID164579278
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Name(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide
SMILESC=C[C@@H](OC1CCCCC1)[C@H](C(=O)NCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C24H28FNO2/c1-2-22(28-21-14-7-4-8-15-21)23(19-12-9-13-20(25)16-19)24(27)26-17-18-10-5-3-6-11-18/h2-3,5-6,9-13,16,21-23H,1,4,7-8,14-15,17H2,(H,26,27)/t22-,23-/m1/s1
InChIKeyRHNZRGWPTFUFME-DHIUTWEWSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide?
The IUPAC name of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide (CID 164579278) is (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide.
What is the SMILES notation for (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide?
The canonical SMILES for (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide is C=C[C@@H](OC1CCCCC1)[C@H](C(=O)NCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide?
The InChIKey is RHNZRGWPTFUFME-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H28FNO2/c1-2-22(28-21-14-7-4-8-15-21)23(19-12-9-13-20(25)16-19)24(27)26-17-18-10-5-3-6-11-18/h2-3,5-6,9-13,16,21-23H,1,4,7-8,14-15,17H2,(H,26,27)/t22-,23-/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide?
(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide has a molecular weight of 381.49 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide is sourced from PubChem (CID 164579278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).