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

C21H25NO4 — CID 9095687

IUPACN-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC(C)C
InChIInChI=1S/C21H25NO4/c1-5-25-20-12-17(9-10-19(20)26-13-14(2)3)21(24)22-18-8-6-7-16(11-18)15(4)23/h6-12,14H,5,13H2,1-4H3,(H,22,24)
InChIKeyQHQGBNYCAKRKOQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.57
Rot. Bonds8

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

N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (PubChem CID 9095687) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
PubChem CID9095687
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC(C)C
InChIInChI=1S/C21H25NO4/c1-5-25-20-12-17(9-10-19(20)26-13-14(2)3)21(24)22-18-8-6-7-16(11-18)15(4)23/h6-12,14H,5,13H2,1-4H3,(H,22,24)
InChIKeyQHQGBNYCAKRKOQ-UHFFFAOYSA-N
XLogP4.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 8858895
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
CID 118626481
3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 26159082

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (CID 9095687) is N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC(C)C.
What is the InChIKey of N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is QHQGBNYCAKRKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-25-20-12-17(9-10-19(20)26-13-14(2)3)21(24)22-18-8-6-7-16(11-18)15(4)23/h6-12,14H,5,13H2,1-4H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 355.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9095687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).