N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide

C22H21NO3 — CID 15289276

IUPACN-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H21NO3/c1-15(24)23-11-10-18-13-19(22(25)16-6-4-3-5-7-16)12-17-8-9-20(26-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)
InChIKeyXIEFMYDVCYTPLW-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 15289276) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID15289276
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H21NO3/c1-15(24)23-11-10-18-13-19(22(25)16-6-4-3-5-7-16)12-17-8-9-20(26-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)
InChIKeyXIEFMYDVCYTPLW-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 15289276) is N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is XIEFMYDVCYTPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-15(24)23-11-10-18-13-19(22(25)16-6-4-3-5-7-16)12-17-8-9-20(26-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 347.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzoyl-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 15289276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).