4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide

C16H25NO3 — CID 91101777

IUPAC4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide
SMILESCC(C)(C)OC(O)C(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-15(19)13(9-10-14(17)18)11-12-7-5-4-6-8-12/h4-8,13,15,19H,9-11H2,1-3H3,(H2,17,18)
InChIKeyRXKMIFCRLCQXIC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.24
Rot. Bonds7

About 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide

4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide (PubChem CID 91101777) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide.

Molecular Properties

Compound Name4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide
PubChem CID91101777
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide
SMILESCC(C)(C)OC(O)C(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-15(19)13(9-10-14(17)18)11-12-7-5-4-6-8-12/h4-8,13,15,19H,9-11H2,1-3H3,(H2,17,18)
InChIKeyRXKMIFCRLCQXIC-UHFFFAOYSA-N
XLogP2.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide?
The IUPAC name of 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide (CID 91101777) is 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide.
What is the SMILES notation for 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide?
The canonical SMILES for 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide is CC(C)(C)OC(O)C(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide?
The InChIKey is RXKMIFCRLCQXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)20-15(19)13(9-10-14(17)18)11-12-7-5-4-6-8-12/h4-8,13,15,19H,9-11H2,1-3H3,(H2,17,18).
What are the key properties of 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide?
4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide has a molecular weight of 279.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanamide is sourced from PubChem (CID 91101777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).