N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide

C15H23NO2 — CID 105058924

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-12(2)10-14(18)16-15(3,11-17)13-8-6-5-7-9-13/h5-9,12,17H,4,10-11H2,1-3H3,(H,16,18)
InChIKeyQKGYXGKWIFXMTJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds6

About N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide

N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide (PubChem CID 105058924) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
PubChem CID105058924
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-12(2)10-14(18)16-15(3,11-17)13-8-6-5-7-9-13/h5-9,12,17H,4,10-11H2,1-3H3,(H,16,18)
InChIKeyQKGYXGKWIFXMTJ-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
2-(2-methylbutylamino)-2-phenylpropan-1-ol
CID 115687949
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105057894
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 105058116
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide
CID 105059797
N-(1-hydroxy-2-phenylpropan-2-yl)-2-pyridin-4-ylacetamide
CID 105059171
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide (CID 105058924) is N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(C)(CO)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide?
The InChIKey is QKGYXGKWIFXMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12(2)10-14(18)16-15(3,11-17)13-8-6-5-7-9-13/h5-9,12,17H,4,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 2.45, 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-phenylpropan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 105058924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).