(E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide

C12H15NO3 — CID 6434361

IUPAC(E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCO
InChIInChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)6-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-6+
InChIKeyRESCTOBKYJIMHJ-VOTSOKGWSA-N
MW221.26 g/mol
LogP0.82
Rot. Bonds5

About (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 6434361) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID6434361
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCO
InChIInChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)6-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-6+
InChIKeyRESCTOBKYJIMHJ-VOTSOKGWSA-N
XLogP0.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 6434361) is (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NCCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is RESCTOBKYJIMHJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)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-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6434361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).