N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

C11H21N3O3 — CID 113237459

IUPACN-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)NCCNC(C)=O
InChIInChI=1S/C11H21N3O3/c1-3-6-14(7-8-15)9-11(17)13-5-4-12-10(2)16/h3,15H,1,4-9H2,2H3,(H,12,16)(H,13,17)
InChIKeySTRYJHNHERHEOW-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.28
Rot. Bonds9

About N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (PubChem CID 113237459) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
PubChem CID113237459
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)NCCNC(C)=O
InChIInChI=1S/C11H21N3O3/c1-3-6-14(7-8-15)9-11(17)13-5-4-12-10(2)16/h3,15H,1,4-9H2,2H3,(H,12,16)(H,13,17)
InChIKeySTRYJHNHERHEOW-UHFFFAOYSA-N
XLogP-1.28
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide 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-hydroxyethyl(prop-2-enyl)amino]ethyl]acetamide
CID 115633464
N'-acetyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetohydrazide
CID 115747968
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115631915
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane
CID 143571910
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
N-(2-acetylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 115631892
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 115631959
sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
CID 158747467

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (CID 113237459) is N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is C=CCN(CCO)CC(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The InChIKey is STRYJHNHERHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-6-14(7-8-15)9-11(17)13-5-4-12-10(2)16/h3,15H,1,4-9H2,2H3,(H,12,16)(H,13,17).
What are the key properties of N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide has a molecular weight of 243.31 g/mol, XLogP of -1.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 113237459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).