2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide

C12H18N2O3 — CID 79473809

IUPAC2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
SMILESCC(NC(=O)COCCN)c1cccc(O)c1
InChIInChI=1S/C12H18N2O3/c1-9(10-3-2-4-11(15)7-10)14-12(16)8-17-6-5-13/h2-4,7,9,15H,5-6,8,13H2,1H3,(H,14,16)
InChIKeyATOACHDXIUVWRM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.54
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide

2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide (PubChem CID 79473809) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
PubChem CID79473809
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
SMILESCC(NC(=O)COCCN)c1cccc(O)c1
InChIInChI=1S/C12H18N2O3/c1-9(10-3-2-4-11(15)7-10)14-12(16)8-17-6-5-13/h2-4,7,9,15H,5-6,8,13H2,1H3,(H,14,16)
InChIKeyATOACHDXIUVWRM-UHFFFAOYSA-N
XLogP0.54
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
2-(2-aminoethoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 79473917
N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
CID 95282952
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 99797134
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 95607825
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide (CID 79473809) is 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide is CC(NC(=O)COCCN)c1cccc(O)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The InChIKey is ATOACHDXIUVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(10-3-2-4-11(15)7-10)14-12(16)8-17-6-5-13/h2-4,7,9,15H,5-6,8,13H2,1H3,(H,14,16).
What are the key properties of 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 79473809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).