N,N-bis(2-hydroxyethyl)but-3-enamide

C8H15NO3 — CID 62679094

IUPACN,N-bis(2-hydroxyethyl)but-3-enamide
SMILESC=CCC(=O)N(CCO)CCO
InChIInChI=1S/C8H15NO3/c1-2-3-8(12)9(4-6-10)5-7-11/h2,10-11H,1,3-7H2
InChIKeyPGMWKNIRIJMPCZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.62
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)but-3-enamide

N,N-bis(2-hydroxyethyl)but-3-enamide (PubChem CID 62679094) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)but-3-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)but-3-enamide
PubChem CID62679094
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN,N-bis(2-hydroxyethyl)but-3-enamide
SMILESC=CCC(=O)N(CCO)CCO
InChIInChI=1S/C8H15NO3/c1-2-3-8(12)9(4-6-10)5-7-11/h2,10-11H,1,3-7H2
InChIKeyPGMWKNIRIJMPCZ-UHFFFAOYSA-N
XLogP-0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)but-3-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)but-3-enamide (CID 62679094) is N,N-bis(2-hydroxyethyl)but-3-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)but-3-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)but-3-enamide is C=CCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)but-3-enamide?
The InChIKey is PGMWKNIRIJMPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-8(12)9(4-6-10)5-7-11/h2,10-11H,1,3-7H2.
What are the key properties of N,N-bis(2-hydroxyethyl)but-3-enamide?
N,N-bis(2-hydroxyethyl)but-3-enamide has a molecular weight of 173.21 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)but-3-enamide is sourced from PubChem (CID 62679094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).