3-ethoxy-2-phenylprop-2-enamide

C11H13NO2 — CID 66596692

IUPAC3-ethoxy-2-phenylprop-2-enamide
SMILESCCOC=C(C(N)=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-14-8-10(11(12)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,12,13)
InChIKeyUNMCPFGPHMVUHW-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.55
Rot. Bonds4

About 3-ethoxy-2-phenylprop-2-enamide

3-ethoxy-2-phenylprop-2-enamide (PubChem CID 66596692) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-ethoxy-2-phenylprop-2-enamide.

Molecular Properties

Compound Name3-ethoxy-2-phenylprop-2-enamide
PubChem CID66596692
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-ethoxy-2-phenylprop-2-enamide
SMILESCCOC=C(C(N)=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-14-8-10(11(12)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,12,13)
InChIKeyUNMCPFGPHMVUHW-UHFFFAOYSA-N
XLogP1.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-2-benzoyl-3-ethoxyprop-2-enoic acid
CID 18689851
2-benzoyl-3-ethoxyprop-2-enoic acid
CID 54394152
ethyl 2-phenylpent-2-enoate
CID 148550128
ethyl (E)-2-benzoyl-3-ethoxyprop-2-enoate
CID 3034576
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
benzoic acid;ethyl formate
CID 158867459
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(2E,4E)-2-phenylhexa-2,4-dienamide
CID 173390067
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
ethyl (E)-4-oxo-2-phenylbut-2-enoate
CID 122364112
(2E)-2-(ethoxymethylidene)-1,4-diphenylbut-3-yn-1-one
CID 102203131

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-phenylprop-2-enamide?
The IUPAC name of 3-ethoxy-2-phenylprop-2-enamide (CID 66596692) is 3-ethoxy-2-phenylprop-2-enamide.
What is the SMILES notation for 3-ethoxy-2-phenylprop-2-enamide?
The canonical SMILES for 3-ethoxy-2-phenylprop-2-enamide is CCOC=C(C(N)=O)c1ccccc1.
What is the InChIKey of 3-ethoxy-2-phenylprop-2-enamide?
The InChIKey is UNMCPFGPHMVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-8-10(11(12)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,12,13).
What are the key properties of 3-ethoxy-2-phenylprop-2-enamide?
3-ethoxy-2-phenylprop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-phenylprop-2-enamide is sourced from PubChem (CID 66596692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).