N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide

C12H15NO4 — CID 110678314

IUPACN-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COCCO)c1
InChIInChI=1S/C12H15NO4/c1-9(15)10-3-2-4-11(7-10)13-12(16)8-17-6-5-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16)
InChIKeyYLKDFHZMVAKROD-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.84
Rot. Bonds6

About N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide

N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide (PubChem CID 110678314) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
PubChem CID110678314
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COCCO)c1
InChIInChI=1S/C12H15NO4/c1-9(15)10-3-2-4-11(7-10)13-12(16)8-17-6-5-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16)
InChIKeyYLKDFHZMVAKROD-UHFFFAOYSA-N
XLogP0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.84
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

3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(3-acetylanilino)-2-oxoethyl] propanoate
CID 7851353
N-(3-acetylphenyl)propanamide
CID 903063
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
4-(3-acetylanilino)-4-oxobutanoate
CID 3285979
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927894

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide (CID 110678314) is N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide is CC(=O)c1cccc(NC(=O)COCCO)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide?
The InChIKey is YLKDFHZMVAKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9(15)10-3-2-4-11(7-10)13-12(16)8-17-6-5-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16).
What are the key properties of N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide?
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide has a molecular weight of 237.25 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide is sourced from PubChem (CID 110678314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).