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

C22H21NO3 — CID 44579259

IUPACN-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(C=O)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H21NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)
InChIKeyUPVFDHUOFQXFQX-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.01
Rot. Bonds6

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

N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 44579259) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID44579259
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(C=O)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H21NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)
InChIKeyUPVFDHUOFQXFQX-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 44579259) is N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(-c3cccc(C=O)c3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is UPVFDHUOFQXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-14H,8-9H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 347.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-formylphenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 44579259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).