(E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide

C12H15NO3 — CID 155576303

IUPAC(E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
SMILESCCO/C=C/C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H15NO3/c1-3-16-7-6-12(15)13-10-5-4-9(2)8-11(10)14/h4-8,14H,3H2,1-2H3,(H,13,15)/b7-6+
InChIKeyVKVDMDSZGIVOQX-VOTSOKGWSA-N
MW221.26 g/mol
LogP2.19
Rot. Bonds4

About (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide

(E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide (PubChem CID 155576303) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
PubChem CID155576303
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
SMILESCCO/C=C/C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H15NO3/c1-3-16-7-6-12(15)13-10-5-4-9(2)8-11(10)14/h4-8,14H,3H2,1-2H3,(H,13,15)/b7-6+
InChIKeyVKVDMDSZGIVOQX-VOTSOKGWSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 9495445
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
CID 10468107
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide (CID 155576303) is (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide is CCO/C=C/C(=O)Nc1ccc(C)cc1O.
What is the InChIKey of (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide?
The InChIKey is VKVDMDSZGIVOQX-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-16-7-6-12(15)13-10-5-4-9(2)8-11(10)14/h4-8,14H,3H2,1-2H3,(H,13,15)/b7-6+.
What are the key properties of (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide?
(E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 155576303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).