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

C22H24N2O2 — CID 10427851

IUPACN-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(CN)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H24N2O2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14,23H2,1-2H3,(H,24,25)
InChIKeyZKRGPZYZEPQSIV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.65
Rot. Bonds6

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

N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 10427851) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID10427851
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(CN)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H24N2O2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14,23H2,1-2H3,(H,24,25)
InChIKeyZKRGPZYZEPQSIV-UHFFFAOYSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 10427851) is N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(-c3cccc(CN)c3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is ZKRGPZYZEPQSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14,23H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(aminomethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 10427851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).