N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide

C23H23N3O3 — CID 55774349

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cccc(OCc3cccnc3)c2)c1
InChIInChI=1S/C23H23N3O3/c1-16(19-7-3-9-21(12-19)26-17(2)27)25-23(28)20-8-4-10-22(13-20)29-15-18-6-5-11-24-14-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNWYLBBUVLCIRBQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.11
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55774349) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55774349
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cccc(OCc3cccnc3)c2)c1
InChIInChI=1S/C23H23N3O3/c1-16(19-7-3-9-21(12-19)26-17(2)27)25-23(28)20-8-4-10-22(13-20)29-15-18-6-5-11-24-14-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNWYLBBUVLCIRBQ-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55774349) is N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cccc(OCc3cccnc3)c2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is NWYLBBUVLCIRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(19-7-3-9-21(12-19)26-17(2)27)25-23(28)20-8-4-10-22(13-20)29-15-18-6-5-11-24-14-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55774349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).