3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide

C13H20N2O3 — CID 62499083

IUPAC3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESNc1ccc(CCC(=O)NCCOCCO)cc1
InChIInChI=1S/C13H20N2O3/c14-12-4-1-11(2-5-12)3-6-13(17)15-7-9-18-10-8-16/h1-2,4-5,16H,3,6-10,14H2,(H,15,17)
InChIKeyZLMQQWLHQGSWSA-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.33
Rot. Bonds8

About 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide

3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide (PubChem CID 62499083) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
PubChem CID62499083
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESNc1ccc(CCC(=O)NCCOCCO)cc1
InChIInChI=1S/C13H20N2O3/c14-12-4-1-11(2-5-12)3-6-13(17)15-7-9-18-10-8-16/h1-2,4-5,16H,3,6-10,14H2,(H,15,17)
InChIKeyZLMQQWLHQGSWSA-UHFFFAOYSA-N
XLogP0.33
TPSA84.58 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 ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethyl 3-(4-aminophenyl)propanoate
CID 61316404
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 138578170
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
CID 63228293
3-(4-aminophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 106242200
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide (CID 62499083) is 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide is Nc1ccc(CCC(=O)NCCOCCO)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The InChIKey is ZLMQQWLHQGSWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-12-4-1-11(2-5-12)3-6-13(17)15-7-9-18-10-8-16/h1-2,4-5,16H,3,6-10,14H2,(H,15,17).
What are the key properties of 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide is sourced from PubChem (CID 62499083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).