N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide

C13H22N2O2 — CID 22311263

IUPACN-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCCN(CC)C(=O)C=C
InChIInChI=1S/C13H22N2O2/c1-5-12(16)14(7-3)10-9-11-15(8-4)13(17)6-2/h5-6H,1-2,7-11H2,3-4H3
InChIKeyNCOOVOHQKQGDSY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds8

About N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide

N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide (PubChem CID 22311263) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide
PubChem CID22311263
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCCN(CC)C(=O)C=C
InChIInChI=1S/C13H22N2O2/c1-5-12(16)14(7-3)10-9-11-15(8-4)13(17)6-2/h5-6H,1-2,7-11H2,3-4H3
InChIKeyNCOOVOHQKQGDSY-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
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-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide (CID 22311263) is N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide is C=CC(=O)N(CC)CCCN(CC)C(=O)C=C.
What is the InChIKey of N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
The InChIKey is NCOOVOHQKQGDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-12(16)14(7-3)10-9-11-15(8-4)13(17)6-2/h5-6H,1-2,7-11H2,3-4H3.
What are the key properties of N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 22311263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).