N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide

C21H26N2O4 — CID 2549012

IUPACN-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C21H26N2O4/c1-5-26-20-12-16(6-11-19(20)27-13-14(2)3)21(25)23-18-9-7-17(8-10-18)22-15(4)24/h6-12,14H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBVDIOQJSVIQGHL-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.33
Rot. Bonds8

About N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide

N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (PubChem CID 2549012) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
PubChem CID2549012
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C21H26N2O4/c1-5-26-20-12-16(6-11-19(20)27-13-14(2)3)21(25)23-18-9-7-17(8-10-18)22-15(4)24/h6-12,14H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBVDIOQJSVIQGHL-UHFFFAOYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747644
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 34317168
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
CID 9145525
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (CID 2549012) is N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(C)C.
What is the InChIKey of N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is BVDIOQJSVIQGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-26-20-12-16(6-11-19(20)27-13-14(2)3)21(25)23-18-9-7-17(8-10-18)22-15(4)24/h6-12,14H,5,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 2549012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).