N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane

C20H32N2O2 — CID 142925994

IUPACN-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane
SMILESC=COC(=C)C(=O)N(CCN(CC)CC)c1ccc(C)cc1.CC
InChIInChI=1S/C18H26N2O2.C2H6/c1-6-19(7-2)13-14-20(18(21)16(5)22-8-3)17-11-9-15(4)10-12-17;1-2/h8-12H,3,5-7,13-14H2,1-2,4H3;1-2H3
InChIKeyLQAZNXWUPDKYEI-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.37
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane

N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane (PubChem CID 142925994) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane
PubChem CID142925994
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane
SMILESC=COC(=C)C(=O)N(CCN(CC)CC)c1ccc(C)cc1.CC
InChIInChI=1S/C18H26N2O2.C2H6/c1-6-19(7-2)13-14-20(18(21)16(5)22-8-3)17-11-9-15(4)10-12-17;1-2/h8-12H,3,5-7,13-14H2,1-2,4H3;1-2H3
InChIKeyLQAZNXWUPDKYEI-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane (CID 142925994) is N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane is C=COC(=C)C(=O)N(CCN(CC)CC)c1ccc(C)cc1.CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane?
The InChIKey is LQAZNXWUPDKYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.C2H6/c1-6-19(7-2)13-14-20(18(21)16(5)22-8-3)17-11-9-15(4)10-12-17;1-2/h8-12H,3,5-7,13-14H2,1-2,4H3;1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane?
N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane has a molecular weight of 332.49 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane is sourced from PubChem (CID 142925994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).