N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide

C20H24N2O5 — CID 46598814

IUPACN-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(NC(C)=O)c2)c(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-12(14-7-6-8-15(11-14)22-13(2)23)21-20(24)16-9-10-17(25-3)19(27-5)18(16)26-4/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyCAKVBWOZSGGPBR-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.16
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide

N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide (PubChem CID 46598814) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
PubChem CID46598814
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(NC(C)=O)c2)c(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-12(14-7-6-8-15(11-14)22-13(2)23)21-20(24)16-9-10-17(25-3)19(27-5)18(16)26-4/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyCAKVBWOZSGGPBR-UHFFFAOYSA-N
XLogP3.16
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55585807
2,3,4-trimethoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55878127
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 55585613
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide (CID 46598814) is N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC(C)c2cccc(NC(C)=O)c2)c(OC)c1OC.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide?
The InChIKey is CAKVBWOZSGGPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12(14-7-6-8-15(11-14)22-13(2)23)21-20(24)16-9-10-17(25-3)19(27-5)18(16)26-4/h6-12H,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide?
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 46598814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).