N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide

C21H26N2O3 — CID 14704382

IUPACN-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C21H26N2O3/c1-15(24)22-19(13-17-9-5-3-6-10-17)21(26)20(23-16(2)25)14-18-11-7-4-8-12-18/h3-12,19-21,26H,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJQWQQDDZJGLLET-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.84
Rot. Bonds8

About N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide

N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide (PubChem CID 14704382) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide
PubChem CID14704382
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C21H26N2O3/c1-15(24)22-19(13-17-9-5-3-6-10-17)21(26)20(23-16(2)25)14-18-11-7-4-8-12-18/h3-12,19-21,26H,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJQWQQDDZJGLLET-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide?
The IUPAC name of N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide (CID 14704382) is N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide?
The canonical SMILES for N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide is CC(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide?
The InChIKey is JQWQQDDZJGLLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(24)22-19(13-17-9-5-3-6-10-17)21(26)20(23-16(2)25)14-18-11-7-4-8-12-18/h3-12,19-21,26H,13-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide?
N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide is sourced from PubChem (CID 14704382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).