(2-ethylphenyl)-(2-hydroxyethyl)cyanamide

C11H14N2O — CID 154189334

IUPAC(2-ethylphenyl)-(2-hydroxyethyl)cyanamide
SMILESCCc1ccccc1N(C#N)CCO
InChIInChI=1S/C11H14N2O/c1-2-10-5-3-4-6-11(10)13(9-12)7-8-14/h3-6,14H,2,7-8H2,1H3
InChIKeyWUKWDRNROWZLEU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.53
Rot. Bonds4

About (2-ethylphenyl)-(2-hydroxyethyl)cyanamide

(2-ethylphenyl)-(2-hydroxyethyl)cyanamide (PubChem CID 154189334) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2-ethylphenyl)-(2-hydroxyethyl)cyanamide.

Molecular Properties

Compound Name(2-ethylphenyl)-(2-hydroxyethyl)cyanamide
PubChem CID154189334
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2-ethylphenyl)-(2-hydroxyethyl)cyanamide
SMILESCCc1ccccc1N(C#N)CCO
InChIInChI=1S/C11H14N2O/c1-2-10-5-3-4-6-11(10)13(9-12)7-8-14/h3-6,14H,2,7-8H2,1H3
InChIKeyWUKWDRNROWZLEU-UHFFFAOYSA-N
XLogP1.53
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-(2-hydroxyethyl)cyanamide?
The IUPAC name of (2-ethylphenyl)-(2-hydroxyethyl)cyanamide (CID 154189334) is (2-ethylphenyl)-(2-hydroxyethyl)cyanamide.
What is the SMILES notation for (2-ethylphenyl)-(2-hydroxyethyl)cyanamide?
The canonical SMILES for (2-ethylphenyl)-(2-hydroxyethyl)cyanamide is CCc1ccccc1N(C#N)CCO.
What is the InChIKey of (2-ethylphenyl)-(2-hydroxyethyl)cyanamide?
The InChIKey is WUKWDRNROWZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-10-5-3-4-6-11(10)13(9-12)7-8-14/h3-6,14H,2,7-8H2,1H3.
What are the key properties of (2-ethylphenyl)-(2-hydroxyethyl)cyanamide?
(2-ethylphenyl)-(2-hydroxyethyl)cyanamide has a molecular weight of 190.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-(2-hydroxyethyl)cyanamide is sourced from PubChem (CID 154189334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).