N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide

C14H22N2O3 — CID 82313978

IUPACN-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
SMILESCCOc1ccc(C(O)CNCCNC(C)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-3-19-13-6-4-12(5-7-13)14(18)10-15-8-9-16-11(2)17/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyQDUKGDWVGLELIE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.84
Rot. Bonds8

About N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide

N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide (PubChem CID 82313978) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
PubChem CID82313978
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
SMILESCCOc1ccc(C(O)CNCCNC(C)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-3-19-13-6-4-12(5-7-13)14(18)10-15-8-9-16-11(2)17/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyQDUKGDWVGLELIE-UHFFFAOYSA-N
XLogP0.84
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.84
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-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 82313995
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 21426688
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
[4-[1-hydroxy-2-(octylamino)ethyl]phenyl] acetate
CID 138558245
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide (CID 82313978) is N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide is CCOc1ccc(C(O)CNCCNC(C)=O)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The InChIKey is QDUKGDWVGLELIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-13-6-4-12(5-7-13)14(18)10-15-8-9-16-11(2)17/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide is sourced from PubChem (CID 82313978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).