N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide

C8H16N2O2 — CID 87508731

IUPACN-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCO
InChIInChI=1S/C8H16N2O2/c1-7(2)8(12)10-4-3-9-5-6-11/h9,11H,1,3-6H2,2H3,(H,10,12)
InChIKeyRMKFZALMMUSFQL-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.74
Rot. Bonds6

About N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide

N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide (PubChem CID 87508731) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
PubChem CID87508731
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCO
InChIInChI=1S/C8H16N2O2/c1-7(2)8(12)10-4-3-9-5-6-11/h9,11H,1,3-6H2,2H3,(H,10,12)
InChIKeyRMKFZALMMUSFQL-UHFFFAOYSA-N
XLogP-0.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxyethylamino)ethyl]-2-methylprop-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

Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
CID 123448729
N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
CID 139973185
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
CID 87932132
2-methyl-N-[2-(2-pyridin-1-ium-1-ylethylamino)ethyl]prop-2-enamide
CID 175239345
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
CID 108527985
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol;2-methylprop-1-ene
CID 174814897

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide (CID 87508731) is N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNCCO.
What is the InChIKey of N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide?
The InChIKey is RMKFZALMMUSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2)8(12)10-4-3-9-5-6-11/h9,11H,1,3-6H2,2H3,(H,10,12).
What are the key properties of N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide?
N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87508731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).