(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide

C13H17NO2 — CID 105057886

IUPAC(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide
SMILESC/C=C/C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-7-12(16)14-13(2,10-15)11-8-5-4-6-9-11/h3-9,15H,10H2,1-2H3,(H,14,16)/b7-3+
InChIKeyHRJZFEWQLDDKMS-XVNBXDOJSA-N
MW219.28 g/mol
LogP1.59
Rot. Bonds4

About (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide

(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide (PubChem CID 105057886) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide
PubChem CID105057886
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide
SMILESC/C=C/C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-7-12(16)14-13(2,10-15)11-8-5-4-6-9-11/h3-9,15H,10H2,1-2H3,(H,14,16)/b7-3+
InChIKeyHRJZFEWQLDDKMS-XVNBXDOJSA-N
XLogP1.59
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 ≤ 51.59
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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Related Compounds

(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105057894
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
2-amino-2-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)butanamide
CID 105058275
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide?
The IUPAC name of (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide (CID 105057886) is (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide is C/C=C/C(=O)NC(C)(CO)c1ccccc1.
What is the InChIKey of (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide?
The InChIKey is HRJZFEWQLDDKMS-XVNBXDOJSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-7-12(16)14-13(2,10-15)11-8-5-4-6-9-11/h3-9,15H,10H2,1-2H3,(H,14,16)/b7-3+.
What are the key properties of (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide?
(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide is sourced from PubChem (CID 105057886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).