N',N'-bis(2-hydroxyethyl)but-2-enediamide

C8H14N2O4 — CID 54420788

IUPACN',N'-bis(2-hydroxyethyl)but-2-enediamide
SMILESNC(=O)C=CC(=O)N(CCO)CCO
InChIInChI=1S/C8H14N2O4/c9-7(13)1-2-8(14)10(3-5-11)4-6-12/h1-2,11-12H,3-6H2,(H2,9,13)
InChIKeyWAQSEGFBMSGMKU-UHFFFAOYSA-N
MW202.21 g/mol
LogP-2.16
Rot. Bonds6

About N',N'-bis(2-hydroxyethyl)but-2-enediamide

N',N'-bis(2-hydroxyethyl)but-2-enediamide (PubChem CID 54420788) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)but-2-enediamide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxyethyl)but-2-enediamide
PubChem CID54420788
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC NameN',N'-bis(2-hydroxyethyl)but-2-enediamide
SMILESNC(=O)C=CC(=O)N(CCO)CCO
InChIInChI=1S/C8H14N2O4/c9-7(13)1-2-8(14)10(3-5-11)4-6-12/h1-2,11-12H,3-6H2,(H2,9,13)
InChIKeyWAQSEGFBMSGMKU-UHFFFAOYSA-N
XLogP-2.16
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-bis(2-hydroxyethyl)but-2-enediamide 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',N'-bis(2-hydroxyethyl)but-2-enediamide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)but-2-enediamide (CID 54420788) is N',N'-bis(2-hydroxyethyl)but-2-enediamide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)but-2-enediamide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)but-2-enediamide is NC(=O)C=CC(=O)N(CCO)CCO.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)but-2-enediamide?
The InChIKey is WAQSEGFBMSGMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-7(13)1-2-8(14)10(3-5-11)4-6-12/h1-2,11-12H,3-6H2,(H2,9,13).
What are the key properties of N',N'-bis(2-hydroxyethyl)but-2-enediamide?
N',N'-bis(2-hydroxyethyl)but-2-enediamide has a molecular weight of 202.21 g/mol, XLogP of -2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)but-2-enediamide is sourced from PubChem (CID 54420788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).