N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide

C13H16N2O2 — CID 94817990

IUPACN-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
SMILESC[C@@H](CC#N)NC(=O)CCc1ccccc1O
InChIInChI=1S/C13H16N2O2/c1-10(8-9-14)15-13(17)7-6-11-4-2-3-5-12(11)16/h2-5,10,16H,6-8H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyCGZBILHBAYIWHS-JTQLQIEISA-N
MW232.28 g/mol
LogP1.74
Rot. Bonds5

About N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide

N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 94817990) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
PubChem CID94817990
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
SMILESC[C@@H](CC#N)NC(=O)CCc1ccccc1O
InChIInChI=1S/C13H16N2O2/c1-10(8-9-14)15-13(17)7-6-11-4-2-3-5-12(11)16/h2-5,10,16H,6-8H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyCGZBILHBAYIWHS-JTQLQIEISA-N
XLogP1.74
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
(2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137608
methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
CID 60712354
2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634
N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
CID 78991804
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide
CID 62094089
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 51292726

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide (CID 94817990) is N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide is C[C@@H](CC#N)NC(=O)CCc1ccccc1O.
What is the InChIKey of N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is CGZBILHBAYIWHS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(8-9-14)15-13(17)7-6-11-4-2-3-5-12(11)16/h2-5,10,16H,6-8H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide?
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 232.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 94817990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).