N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide

C18H22N2O3 — CID 78776642

IUPACN-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccccc2O)cc1
InChIInChI=1S/C18H22N2O3/c1-3-20(4-2)15-11-9-14(10-12-15)19-18(22)13-23-17-8-6-5-7-16(17)21/h5-12,21H,3-4,13H2,1-2H3,(H,19,22)
InChIKeyXBXIUMDHIFFVKK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.26
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide

N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide (PubChem CID 78776642) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide
PubChem CID78776642
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccccc2O)cc1
InChIInChI=1S/C18H22N2O3/c1-3-20(4-2)15-11-9-14(10-12-15)19-18(22)13-23-17-8-6-5-7-16(17)21/h5-12,21H,3-4,13H2,1-2H3,(H,19,22)
InChIKeyXBXIUMDHIFFVKK-UHFFFAOYSA-N
XLogP3.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-ethylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112986562
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139
N-(3-ethylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770107
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 16518098
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide (CID 78776642) is N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide is CCN(CC)c1ccc(NC(=O)COc2ccccc2O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is XBXIUMDHIFFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-20(4-2)15-11-9-14(10-12-15)19-18(22)13-23-17-8-6-5-7-16(17)21/h5-12,21H,3-4,13H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide?
N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 78776642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).