(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide

C15H21NO3 — CID 110002768

IUPAC(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
SMILESCOCC(C)(CCO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(10-11-17,12-19-2)16-14(18)9-8-13-6-4-3-5-7-13/h3-9,17H,10-12H2,1-2H3,(H,16,18)/b9-8+
InChIKeyPAONCZMFXQUJDF-CMDGGOBGSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds7

About (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide

(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide (PubChem CID 110002768) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
PubChem CID110002768
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
SMILESCOCC(C)(CCO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(10-11-17,12-19-2)16-14(18)9-8-13-6-4-3-5-7-13/h3-9,17H,10-12H2,1-2H3,(H,16,18)/b9-8+
InChIKeyPAONCZMFXQUJDF-CMDGGOBGSA-N
XLogP1.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
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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Related Compounds

(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 110002949
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
CID 110002731
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide
CID 110003116
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
(E)-3-(4-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946118
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)but-3-enamide
CID 110002888
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103945790
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 103946043

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide (CID 110002768) is (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide is COCC(C)(CCO)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide?
The InChIKey is PAONCZMFXQUJDF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(10-11-17,12-19-2)16-14(18)9-8-13-6-4-3-5-7-13/h3-9,17H,10-12H2,1-2H3,(H,16,18)/b9-8+.
What are the key properties of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide?
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 110002768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).