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

C14H16N2O4 — CID 90960823

IUPACN-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCN(C(=O)C=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C14H16N2O4/c1-5-11(17)15(12(18)6-2)9-10-16(13(19)7-3)14(20)8-4/h5-8H,1-4,9-10H2
InChIKeyNOISXKSTKCGYJD-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.44
Rot. Bonds7

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

N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide (PubChem CID 90960823) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
PubChem CID90960823
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCN(C(=O)C=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C14H16N2O4/c1-5-11(17)15(12(18)6-2)9-10-16(13(19)7-3)14(20)8-4/h5-8H,1-4,9-10H2
InChIKeyNOISXKSTKCGYJD-UHFFFAOYSA-N
XLogP0.44
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide (CID 90960823) is N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCN(C(=O)C=C)C(=O)C=C)C(=O)C=C.
What is the InChIKey of N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide?
The InChIKey is NOISXKSTKCGYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-5-11(17)15(12(18)6-2)9-10-16(13(19)7-3)14(20)8-4/h5-8H,1-4,9-10H2.
What are the key properties of N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide?
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide has a molecular weight of 276.29 g/mol, XLogP of 0.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 90960823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).