2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide

C13H20N2O3 — CID 144663757

IUPAC2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CN(CCO)CCO)cc1
InChIInChI=1S/C13H20N2O3/c14-13(18)9-11-1-3-12(4-2-11)10-15(5-7-16)6-8-17/h1-4,16-17H,5-10H2,(H2,14,18)
InChIKeyFAYXQGVHJJYRGV-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.50
Rot. Bonds8

About 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide

2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide (PubChem CID 144663757) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide
PubChem CID144663757
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CN(CCO)CCO)cc1
InChIInChI=1S/C13H20N2O3/c14-13(18)9-11-1-3-12(4-2-11)10-15(5-7-16)6-8-17/h1-4,16-17H,5-10H2,(H2,14,18)
InChIKeyFAYXQGVHJJYRGV-UHFFFAOYSA-N
XLogP-0.50
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]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

2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111487813
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]acetamide
CID 154513801
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[(3,4-diaminophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 94810816
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
4-[[benzyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 62116338
2-[4-(2-aminoethyl)phenyl]acetamide
CID 70268423
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide (CID 144663757) is 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide is NC(=O)Cc1ccc(CN(CCO)CCO)cc1.
What is the InChIKey of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
The InChIKey is FAYXQGVHJJYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-13(18)9-11-1-3-12(4-2-11)10-15(5-7-16)6-8-17/h1-4,16-17H,5-10H2,(H2,14,18).
What are the key properties of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 144663757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).