N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide

C13H19NO4 — CID 66169775

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H19NO4/c1-10(18-11-6-4-3-5-7-11)12(16)14-8-13(2,17)9-15/h3-7,10,15,17H,8-9H2,1-2H3,(H,14,16)
InChIKeyUDFNDAGLVKWUDB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.31
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide

N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide (PubChem CID 66169775) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
PubChem CID66169775
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H19NO4/c1-10(18-11-6-4-3-5-7-11)12(16)14-8-13(2,17)9-15/h3-7,10,15,17H,8-9H2,1-2H3,(H,14,16)
InChIKeyUDFNDAGLVKWUDB-UHFFFAOYSA-N
XLogP0.31
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66170661
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-ethyl-2-phenoxypropanamide
CID 4282518
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
CID 95379382
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide (CID 66169775) is N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC(C)(O)CO.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide?
The InChIKey is UDFNDAGLVKWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(18-11-6-4-3-5-7-11)12(16)14-8-13(2,17)9-15/h3-7,10,15,17H,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide has a molecular weight of 253.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide is sourced from PubChem (CID 66169775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).