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

C21H22N2O2 — CID 22133318

IUPACN-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(N)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)
InChIKeyRUYDBTKHRKQOLY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.78
Rot. Bonds5

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

N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 22133318) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID22133318
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(N)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)
InChIKeyRUYDBTKHRKQOLY-UHFFFAOYSA-N
XLogP3.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 22133318) is N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(-c3cccc(N)c3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is RUYDBTKHRKQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24).
What are the key properties of N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 22133318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).