N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide

C11H12N2O2 — CID 62651288

IUPACN-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
SMILESN#CCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C11H12N2O2/c12-5-2-6-13-11(15)8-9-3-1-4-10(14)7-9/h1,3-4,7,14H,2,6,8H2,(H,13,15)
InChIKeyBPLUVDFAMSFDOU-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.96
Rot. Bonds4

About N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide

N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 62651288) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID62651288
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
SMILESN#CCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C11H12N2O2/c12-5-2-6-13-11(15)8-9-3-1-4-10(14)7-9/h1,3-4,7,14H,2,6,8H2,(H,13,15)
InChIKeyBPLUVDFAMSFDOU-UHFFFAOYSA-N
XLogP0.96
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 61399819
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 113229806
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
2-(3-hydroxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55220652

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide (CID 62651288) is N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide is N#CCCNC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is BPLUVDFAMSFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-5-2-6-13-11(15)8-9-3-1-4-10(14)7-9/h1,3-4,7,14H,2,6,8H2,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide?
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 204.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 62651288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).