2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C12H18N2O3 — CID 62499909

IUPAC2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCOCCO
InChIInChI=1S/C12H18N2O3/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-17-8-6-15/h1-4,15H,5-9,13H2,(H,14,16)
InChIKeyWCTNPZDDVLGPCP-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.06
Rot. Bonds7

About 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 62499909) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID62499909
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCOCCO
InChIInChI=1S/C12H18N2O3/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-17-8-6-15/h1-4,15H,5-9,13H2,(H,14,16)
InChIKeyWCTNPZDDVLGPCP-UHFFFAOYSA-N
XLogP-0.06
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
CID 114126710
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 114297434
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 62499083

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 62499909) is 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is Nc1ccccc1CC(=O)NCCOCCO.
What is the InChIKey of 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is WCTNPZDDVLGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-17-8-6-15/h1-4,15H,5-9,13H2,(H,14,16).
What are the key properties of 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 62499909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).