N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide

C10H20N2O3 — CID 58999384

IUPACN-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(CCO)CCO
InChIInChI=1S/C10H20N2O3/c1-9(2)10(15)11-3-4-12(5-7-13)6-8-14/h13-14H,1,3-8H2,2H3,(H,11,15)
InChIKeySKQGPVGSWZXATM-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.03
Rot. Bonds8

About N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide

N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide (PubChem CID 58999384) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide
PubChem CID58999384
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(CCO)CCO
InChIInChI=1S/C10H20N2O3/c1-9(2)10(15)11-3-4-12(5-7-13)6-8-14/h13-14H,1,3-8H2,2H3,(H,11,15)
InChIKeySKQGPVGSWZXATM-UHFFFAOYSA-N
XLogP-1.03
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide (CID 58999384) is N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN(CCO)CCO.
What is the InChIKey of N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is SKQGPVGSWZXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2)10(15)11-3-4-12(5-7-13)6-8-14/h13-14H,1,3-8H2,2H3,(H,11,15).
What are the key properties of N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide?
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 216.28 g/mol, XLogP of -1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 58999384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).