N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide

C13H20N2O2 — CID 87562000

IUPACN-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N(CC)C(=CC)N(CC)C(=O)C=C
InChIInChI=1S/C13H20N2O2/c1-6-11(14(9-4)12(16)7-2)15(10-5)13(17)8-3/h6-8H,2-3,9-10H2,1,4-5H3
InChIKeyIDSPXKZWPFUANL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.92
Rot. Bonds6

About N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide

N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide (PubChem CID 87562000) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
PubChem CID87562000
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N(CC)C(=CC)N(CC)C(=O)C=C
InChIInChI=1S/C13H20N2O2/c1-6-11(14(9-4)12(16)7-2)15(10-5)13(17)8-3/h6-8H,2-3,9-10H2,1,4-5H3
InChIKeyIDSPXKZWPFUANL-UHFFFAOYSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.92
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 N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide (CID 87562000) is N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide is C=CC(=O)N(CC)C(=CC)N(CC)C(=O)C=C.
What is the InChIKey of N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide?
The InChIKey is IDSPXKZWPFUANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-6-11(14(9-4)12(16)7-2)15(10-5)13(17)8-3/h6-8H,2-3,9-10H2,1,4-5H3.
What are the key properties of N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide?
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide has a molecular weight of 236.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide is sourced from PubChem (CID 87562000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).