2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide

C12H18N2O3 — CID 107734931

IUPAC2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)COCCN)c1cccc(O)c1
InChIInChI=1S/C12H18N2O3/c1-2-14(12(16)9-17-7-6-13)10-4-3-5-11(15)8-10/h3-5,8,15H,2,6-7,9,13H2,1H3
InChIKeyNOSXLOQIKQYUFI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds6

About 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide

2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide (PubChem CID 107734931) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide
PubChem CID107734931
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)COCCN)c1cccc(O)c1
InChIInChI=1S/C12H18N2O3/c1-2-14(12(16)9-17-7-6-13)10-4-3-5-11(15)8-10/h3-5,8,15H,2,6-7,9,13H2,1H3
InChIKeyNOSXLOQIKQYUFI-UHFFFAOYSA-N
XLogP0.72
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
CID 79479435
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
CID 107734933
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide (CID 107734931) is 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide is CCN(C(=O)COCCN)c1cccc(O)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The InChIKey is NOSXLOQIKQYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-14(12(16)9-17-7-6-13)10-4-3-5-11(15)8-10/h3-5,8,15H,2,6-7,9,13H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide?
2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 107734931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).