(E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide

C17H22N2O — CID 134917536

IUPAC(E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide
SMILESC=CCN(CC=C)C(=O)C(/C=C/c1ccccc1)NC
InChIInChI=1S/C17H22N2O/c1-4-13-19(14-5-2)17(20)16(18-3)12-11-15-9-7-6-8-10-15/h4-12,16,18H,1-2,13-14H2,3H3/b12-11+
InChIKeyREKQXEHGASKLBV-VAWYXSNFSA-N
MW270.38 g/mol
LogP2.49
Rot. Bonds8

About (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide

(E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide (PubChem CID 134917536) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide.

Molecular Properties

Compound Name(E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide
PubChem CID134917536
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide
SMILESC=CCN(CC=C)C(=O)C(/C=C/c1ccccc1)NC
InChIInChI=1S/C17H22N2O/c1-4-13-19(14-5-2)17(20)16(18-3)12-11-15-9-7-6-8-10-15/h4-12,16,18H,1-2,13-14H2,3H3/b12-11+
InChIKeyREKQXEHGASKLBV-VAWYXSNFSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide?
The IUPAC name of (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide (CID 134917536) is (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide.
What is the SMILES notation for (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide?
The canonical SMILES for (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide is C=CCN(CC=C)C(=O)C(/C=C/c1ccccc1)NC.
What is the InChIKey of (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide?
The InChIKey is REKQXEHGASKLBV-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-13-19(14-5-2)17(20)16(18-3)12-11-15-9-7-6-8-10-15/h4-12,16,18H,1-2,13-14H2,3H3/b12-11+.
What are the key properties of (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide?
(E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide has a molecular weight of 270.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide is sourced from PubChem (CID 134917536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).