(E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide

C12H15NO2 — CID 6434097

IUPAC(E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCO)cc1
InChIInChI=1S/C12H15NO2/c1-10-2-4-11(5-3-10)6-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-6+
InChIKeyDXLMBMLNCBBQGB-VOTSOKGWSA-N
MW205.26 g/mol
LogP1.12
Rot. Bonds4

About (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 6434097) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID6434097
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCO)cc1
InChIInChI=1S/C12H15NO2/c1-10-2-4-11(5-3-10)6-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-6+
InChIKeyDXLMBMLNCBBQGB-VOTSOKGWSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide (CID 6434097) is (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCO)cc1.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is DXLMBMLNCBBQGB-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10-2-4-11(5-3-10)6-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-6+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 6434097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).