N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide

C19H21NO4 — CID 19181020

IUPACN-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H21NO4/c1-14(21)15-7-5-8-16(13-15)20-19(22)11-6-12-24-18-10-4-3-9-17(18)23-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,22)
InChIKeyQCVZDORLHXRGAF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.70
Rot. Bonds8

About N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide

N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide (PubChem CID 19181020) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
PubChem CID19181020
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H21NO4/c1-14(21)15-7-5-8-16(13-15)20-19(22)11-6-12-24-18-10-4-3-9-17(18)23-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,22)
InChIKeyQCVZDORLHXRGAF-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180963
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
CID 55789835
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
4-(4-acetyl-2-methoxyphenoxy)-N-[4-[benzyl(methyl)amino]phenyl]butanamide
CID 60536977
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide (CID 19181020) is N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide is COc1ccccc1OCCCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide?
The InChIKey is QCVZDORLHXRGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(21)15-7-5-8-16(13-15)20-19(22)11-6-12-24-18-10-4-3-9-17(18)23-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide?
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide has a molecular weight of 327.38 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 19181020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).