N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide

C15H23NO3 — CID 61246616

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
SMILESCC(C)CC(CO)NC(=O)CCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(2)10-13(11-17)16-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyNUAHWKVFIPAACS-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide (PubChem CID 61246616) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
PubChem CID61246616
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
SMILESCC(C)CC(CO)NC(=O)CCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(2)10-13(11-17)16-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyNUAHWKVFIPAACS-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide
CID 61247500
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
tert-butyl N-[(2S)-4-methyl-1-(3-phenoxypropanoylamino)pentan-2-yl]carbamate
CID 110288498
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide
CID 107157346
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide (CID 61246616) is N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide is CC(C)CC(CO)NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide?
The InChIKey is NUAHWKVFIPAACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)10-13(11-17)16-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide has a molecular weight of 265.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 61246616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).