N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide

C12H20N2O4 — CID 42636032

IUPACN-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyUMVFOWMSJBWRMN-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.38
Rot. Bonds11

About N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide

N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 42636032) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID42636032
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyUMVFOWMSJBWRMN-UHFFFAOYSA-N
XLogP-0.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-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-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 42636032) is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCCOCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is UMVFOWMSJBWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 256.30 g/mol, XLogP of -0.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 42636032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).