(E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide

C20H23NO2 — CID 10614852

IUPAC(E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide
SMILESC/C(=C\C(=O)N(C)C)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-15(14-20(22)21(3)4)17-10-12-19(13-11-17)23-16(2)18-8-6-5-7-9-18/h5-14,16H,1-4H3/b15-14+
InChIKeyJDQXTGLQTFOWNK-CCEZHUSRSA-N
MW309.41 g/mol
LogP4.32
Rot. Bonds5

About (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide

(E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide (PubChem CID 10614852) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide
PubChem CID10614852
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide
SMILESC/C(=C\C(=O)N(C)C)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-15(14-20(22)21(3)4)17-10-12-19(13-11-17)23-16(2)18-8-6-5-7-9-18/h5-14,16H,1-4H3/b15-14+
InChIKeyJDQXTGLQTFOWNK-CCEZHUSRSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
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,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide (CID 10614852) is (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide is C/C(=C\C(=O)N(C)C)c1ccc(OC(C)c2ccccc2)cc1.
What is the InChIKey of (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide?
The InChIKey is JDQXTGLQTFOWNK-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15(14-20(22)21(3)4)17-10-12-19(13-11-17)23-16(2)18-8-6-5-7-9-18/h5-14,16H,1-4H3/b15-14+.
What are the key properties of (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide?
(E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide is sourced from PubChem (CID 10614852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).