N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide

C12H14N2O3 — CID 63365692

IUPACN-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
SMILESC[C@@H](O)c1cccc(OCC(=O)NCC#N)c1
InChIInChI=1S/C12H14N2O3/c1-9(15)10-3-2-4-11(7-10)17-8-12(16)14-6-5-13/h2-4,7,9,15H,6,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyFIKNPMQCKAAZTN-SECBINFHSA-N
MW234.25 g/mol
LogP0.76
Rot. Bonds5

About N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide

N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide (PubChem CID 63365692) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
PubChem CID63365692
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
SMILESC[C@@H](O)c1cccc(OCC(=O)NCC#N)c1
InChIInChI=1S/C12H14N2O3/c1-9(15)10-3-2-4-11(7-10)17-8-12(16)14-6-5-13/h2-4,7,9,15H,6,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyFIKNPMQCKAAZTN-SECBINFHSA-N
XLogP0.76
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 71968834
N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide
CID 60883645
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide (CID 63365692) is N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide is C[C@@H](O)c1cccc(OCC(=O)NCC#N)c1.
What is the InChIKey of N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide?
The InChIKey is FIKNPMQCKAAZTN-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9(15)10-3-2-4-11(7-10)17-8-12(16)14-6-5-13/h2-4,7,9,15H,6,8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide?
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide has a molecular weight of 234.25 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide is sourced from PubChem (CID 63365692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).