N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide

C11H15NO3 — CID 11735943

IUPACN-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
SMILESCC(=O)NC(CO)C(O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(14)12-10(7-13)11(15)9-5-3-2-4-6-9/h2-6,10-11,13,15H,7H2,1H3,(H,12,14)
InChIKeyCCTYSLWJSAHBMD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.22
Rot. Bonds4

About N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide

N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide (PubChem CID 11735943) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
PubChem CID11735943
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
SMILESCC(=O)NC(CO)C(O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(14)12-10(7-13)11(15)9-5-3-2-4-6-9/h2-6,10-11,13,15H,7H2,1H3,(H,12,14)
InChIKeyCCTYSLWJSAHBMD-UHFFFAOYSA-N
XLogP0.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759
N-[(1S,2S)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411973
(2-acetamido-3-hydroxy-3-phenylpropyl) acetate
CID 117066355
N-[(1S,2R)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411974
2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride
CID 172835008
N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide
CID 163165268
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335
4-[(1R,2R)-2-acetamido-1,3-dihydroxypropyl]-N-hydroxybenzeneamine oxide
CID 163165267
N-(1,3-dihydroxy-1-phenylpropan-2-yl)formamide
CID 13382275
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide
CID 13382276
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide
CID 18373005

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide (CID 11735943) is N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide is CC(=O)NC(CO)C(O)c1ccccc1.
What is the InChIKey of N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide?
The InChIKey is CCTYSLWJSAHBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(14)12-10(7-13)11(15)9-5-3-2-4-6-9/h2-6,10-11,13,15H,7H2,1H3,(H,12,14).
What are the key properties of N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide?
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 11735943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).