(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide

C13H17NO2 — CID 43419211

IUPAC(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC(C)CO)cc1
InChIInChI=1S/C13H17NO2/c1-10-3-5-12(6-4-10)7-8-13(16)14-11(2)9-15/h3-8,11,15H,9H2,1-2H3,(H,14,16)/b8-7+
InChIKeyPKVYOXHWEWGKKK-BQYQJAHWSA-N
MW219.28 g/mol
LogP1.51
Rot. Bonds4

About (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 43419211) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID43419211
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC(C)CO)cc1
InChIInChI=1S/C13H17NO2/c1-10-3-5-12(6-4-10)7-8-13(16)14-11(2)9-15/h3-8,11,15H,9H2,1-2H3,(H,14,16)/b8-7+
InChIKeyPKVYOXHWEWGKKK-BQYQJAHWSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.51
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-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide (CID 43419211) is (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC(C)CO)cc1.
What is the InChIKey of (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is PKVYOXHWEWGKKK-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-3-5-12(6-4-10)7-8-13(16)14-11(2)9-15/h3-8,11,15H,9H2,1-2H3,(H,14,16)/b8-7+.
What are the key properties of (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 43419211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).