(3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide

C21H26FNO3 — CID 122623257

IUPAC(3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(CC)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H26FNO3/c1-3-15-5-7-16(8-6-15)13-19(17-9-11-18(22)12-10-17)20(26-4-2)14-21(24)23-25/h5-12,19-20,25H,3-4,13-14H2,1-2H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyOPCHMNVVHJPRPN-WOJBJXKFSA-N
MW359.44 g/mol
LogP4.01
Rot. Bonds9

About (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide

(3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide (PubChem CID 122623257) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide.

Molecular Properties

Compound Name(3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide
PubChem CID122623257
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name(3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(CC)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H26FNO3/c1-3-15-5-7-16(8-6-15)13-19(17-9-11-18(22)12-10-17)20(26-4-2)14-21(24)23-25/h5-12,19-20,25H,3-4,13-14H2,1-2H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyOPCHMNVVHJPRPN-WOJBJXKFSA-N
XLogP4.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide?
The IUPAC name of (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide (CID 122623257) is (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide.
What is the SMILES notation for (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide?
The canonical SMILES for (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide is CCO[C@H](CC(=O)NO)[C@H](Cc1ccc(CC)cc1)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide?
The InChIKey is OPCHMNVVHJPRPN-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-3-15-5-7-16(8-6-15)13-19(17-9-11-18(22)12-10-17)20(26-4-2)14-21(24)23-25/h5-12,19-20,25H,3-4,13-14H2,1-2H3,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide?
(3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide has a molecular weight of 359.44 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide is sourced from PubChem (CID 122623257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).