N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide

C19H21NO4 — CID 17139535

IUPACN-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H21NO4/c1-3-23-11-12-24-18-6-4-5-16(13-18)19(22)20-17-9-7-15(8-10-17)14(2)21/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyONEFIIVGNXBFBP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.56
Rot. Bonds8

About N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide

N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide (PubChem CID 17139535) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
PubChem CID17139535
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H21NO4/c1-3-23-11-12-24-18-6-4-5-16(13-18)19(22)20-17-9-7-15(8-10-17)14(2)21/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyONEFIIVGNXBFBP-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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

N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139541
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate
CID 17139559
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide (CID 17139535) is N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide is CCOCCOc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide?
The InChIKey is ONEFIIVGNXBFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-23-11-12-24-18-6-4-5-16(13-18)19(22)20-17-9-7-15(8-10-17)14(2)21/h4-10,13H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide?
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide has a molecular weight of 327.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17139535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).