(E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide

C13H17NO2 — CID 6446031

IUPAC(E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)CC(=O)NCCO
InChIInChI=1S/C13H17NO2/c1-11(10-13(16)14-7-8-15)9-12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H,14,16)/b11-9+
InChIKeyNSNIFOUJZXSLKG-PKNBQFBNSA-N
MW219.28 g/mol
LogP1.59
Rot. Bonds5

About (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide

(E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide (PubChem CID 6446031) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
PubChem CID6446031
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)CC(=O)NCCO
InChIInChI=1S/C13H17NO2/c1-11(10-13(16)14-7-8-15)9-12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H,14,16)/b11-9+
InChIKeyNSNIFOUJZXSLKG-PKNBQFBNSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide (CID 6446031) is (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide is C/C(=C\c1ccccc1)CC(=O)NCCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The InChIKey is NSNIFOUJZXSLKG-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(10-13(16)14-7-8-15)9-12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H,14,16)/b11-9+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
(E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.59, 5 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-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 6446031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).