N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide

C16H25NO2 — CID 86783585

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide
SMILESCC(C)(CO)NC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-15(2,13-8-6-5-7-9-13)11-10-14(19)17-16(3,4)12-18/h5-9,18H,10-12H2,1-4H3,(H,17,19)
InChIKeyQEFJNDAMDZWEFM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide (PubChem CID 86783585) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide
PubChem CID86783585
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide
SMILESCC(C)(CO)NC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-15(2,13-8-6-5-7-9-13)11-10-14(19)17-16(3,4)12-18/h5-9,18H,10-12H2,1-4H3,(H,17,19)
InChIKeyQEFJNDAMDZWEFM-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide (CID 86783585) is N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide is CC(C)(CO)NC(=O)CCC(C)(C)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide?
The InChIKey is QEFJNDAMDZWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,13-8-6-5-7-9-13)11-10-14(19)17-16(3,4)12-18/h5-9,18H,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 86783585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).