N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide

C19H20N2O3 — CID 71867003

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2ccccc2C(C)=O)c1
InChIInChI=1S/C19H20N2O3/c1-12(15-7-6-8-16(11-15)21-14(3)23)20-19(24)18-10-5-4-9-17(18)13(2)22/h4-12H,1-3H3,(H,20,24)(H,21,23)
InChIKeyWMHYCAQQEXUECK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.34
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide

N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide (PubChem CID 71867003) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
PubChem CID71867003
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2ccccc2C(C)=O)c1
InChIInChI=1S/C19H20N2O3/c1-12(15-7-6-8-16(11-15)21-14(3)23)20-19(24)18-10-5-4-9-17(18)13(2)22/h4-12H,1-3H3,(H,20,24)(H,21,23)
InChIKeyWMHYCAQQEXUECK-UHFFFAOYSA-N
XLogP3.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
N-[1-(3-acetamidophenyl)ethyl]but-2-enamide
CID 113221646

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide (CID 71867003) is N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide is CC(=O)Nc1cccc(C(C)NC(=O)c2ccccc2C(C)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide?
The InChIKey is WMHYCAQQEXUECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(15-7-6-8-16(11-15)21-14(3)23)20-19(24)18-10-5-4-9-17(18)13(2)22/h4-12H,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide?
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide is sourced from PubChem (CID 71867003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).