(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide

C12H15NO3 — CID 135040365

IUPAC(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
SMILESCCO/C(O)=C/C(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)8-11(14)13-9-10-6-4-3-5-7-10/h3-8,15H,2,9H2,1H3,(H,13,14)/b12-8+
InChIKeyUWGTUCKJLSPKLP-XYOKQWHBSA-N
MW221.26 g/mol
LogP1.74
Rot. Bonds5

About (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide

(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide (PubChem CID 135040365) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
PubChem CID135040365
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
SMILESCCO/C(O)=C/C(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)8-11(14)13-9-10-6-4-3-5-7-10/h3-8,15H,2,9H2,1H3,(H,13,14)/b12-8+
InChIKeyUWGTUCKJLSPKLP-XYOKQWHBSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2-chlorophenyl)methyl]-3-ethoxy-3-hydroxyprop-2-enamide
CID 134090198
benzene;ethyl N-benzylcarbamate
CID 67715166
(Z)-4-(benzylamino)-4-ethoxybut-3-en-2-one
CID 101098623
ethyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 101404500
(E)-N-[(2,3-dichlorophenyl)methyl]-3-ethoxy-3-hydroxyprop-2-enamide
CID 134090203
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
methyl (2S)-2-[[(Z)-4-(benzylamino)-4-oxobut-2-en-2-yl]amino]-3-methylbutanoate
CID 10662296
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
N-benzyl-3-(benzylamino)-4,4,4-trifluorobut-2-enamide
CID 3706822

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide (CID 135040365) is (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide is CCO/C(O)=C/C(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide?
The InChIKey is UWGTUCKJLSPKLP-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)8-11(14)13-9-10-6-4-3-5-7-10/h3-8,15H,2,9H2,1H3,(H,13,14)/b12-8+.
What are the key properties of (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide?
(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide is sourced from PubChem (CID 135040365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).