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

C12H20N2O2 — CID 23508672

IUPACN-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCN(CC)C(=O)C=C
InChIInChI=1S/C12H20N2O2/c1-5-11(15)13(7-3)9-10-14(8-4)12(16)6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeySNFFAPHGFLKJOI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.06
Rot. Bonds7

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

N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (PubChem CID 23508672) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
PubChem CID23508672
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCN(CC)C(=O)C=C
InChIInChI=1S/C12H20N2O2/c1-5-11(15)13(7-3)9-10-14(8-4)12(16)6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeySNFFAPHGFLKJOI-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.06
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-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (CID 23508672) is N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is C=CC(=O)N(CC)CCN(CC)C(=O)C=C.
What is the InChIKey of N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The InChIKey is SNFFAPHGFLKJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-11(15)13(7-3)9-10-14(8-4)12(16)6-2/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 23508672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).