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

C13H17NO — CID 5371857

IUPAC(E)-N-tert-butyl-3-phenylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2,3)14-12(15)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15)/b10-9+
InChIKeyDQEWVEDDMGKPDM-MDZDMXLPSA-N
MW203.28 g/mol
LogP2.61
Rot. Bonds2

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

(E)-N-tert-butyl-3-phenylprop-2-enamide (PubChem CID 5371857) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-phenylprop-2-enamide
PubChem CID5371857
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-N-tert-butyl-3-phenylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2,3)14-12(15)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15)/b10-9+
InChIKeyDQEWVEDDMGKPDM-MDZDMXLPSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-phenylprop-2-enamide (CID 5371857) is (E)-N-tert-butyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-phenylprop-2-enamide is CC(C)(C)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-tert-butyl-3-phenylprop-2-enamide?
The InChIKey is DQEWVEDDMGKPDM-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)14-12(15)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15)/b10-9+.
What are the key properties of (E)-N-tert-butyl-3-phenylprop-2-enamide?
(E)-N-tert-butyl-3-phenylprop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-phenylprop-2-enamide is sourced from PubChem (CID 5371857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).