(E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide

C15H21NO2 — CID 6434376

IUPAC(E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
SMILESCC(C)(C)N(CCO)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)16(11-12-17)14(18)10-9-13-7-5-4-6-8-13/h4-10,17H,11-12H2,1-3H3/b10-9+
InChIKeyVEBMYRKNXMTFTI-MDZDMXLPSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds4

About (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide

(E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide (PubChem CID 6434376) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
PubChem CID6434376
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
SMILESCC(C)(C)N(CCO)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)16(11-12-17)14(18)10-9-13-7-5-4-6-8-13/h4-10,17H,11-12H2,1-3H3/b10-9+
InChIKeyVEBMYRKNXMTFTI-MDZDMXLPSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide (CID 6434376) is (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide is CC(C)(C)N(CCO)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide?
The InChIKey is VEBMYRKNXMTFTI-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)16(11-12-17)14(18)10-9-13-7-5-4-6-8-13/h4-10,17H,11-12H2,1-3H3/b10-9+.
What are the key properties of (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide?
(E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6434376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).