(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide

C13H17NO2 — CID 135086786

IUPAC(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)N(C)OC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-11(10-13(15)14(2)16-3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b11-10+
InChIKeyXXRJIINZSAAWCA-ZHACJKMWSA-N
MW219.28 g/mol
LogP2.50
Rot. Bonds4

About (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide

(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide (PubChem CID 135086786) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
PubChem CID135086786
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)N(C)OC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-11(10-13(15)14(2)16-3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b11-10+
InChIKeyXXRJIINZSAAWCA-ZHACJKMWSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide (CID 135086786) is (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide is CC/C(=C\C(=O)N(C)OC)c1ccccc1.
What is the InChIKey of (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide?
The InChIKey is XXRJIINZSAAWCA-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-11(10-13(15)14(2)16-3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b11-10+.
What are the key properties of (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide?
(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methyl-3-phenylpent-2-enamide is sourced from PubChem (CID 135086786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).