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

C23H26N2O2 — CID 44579163

IUPACN-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(N(C)C)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C23H26N2O2/c1-16(26)24-11-10-19-13-20(17-6-5-7-21(14-17)25(2)3)12-18-8-9-22(27-4)15-23(18)19/h5-9,12-15H,10-11H2,1-4H3,(H,24,26)
InChIKeyYRYMDLWIIIPERP-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.26
Rot. Bonds6

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

N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 44579163) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID44579163
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3cccc(N(C)C)c3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C23H26N2O2/c1-16(26)24-11-10-19-13-20(17-6-5-7-21(14-17)25(2)3)12-18-8-9-22(27-4)15-23(18)19/h5-9,12-15H,10-11H2,1-4H3,(H,24,26)
InChIKeyYRYMDLWIIIPERP-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 44579163) is N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(-c3cccc(N(C)C)c3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is YRYMDLWIIIPERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16(26)24-11-10-19-13-20(17-6-5-7-21(14-17)25(2)3)12-18-8-9-22(27-4)15-23(18)19/h5-9,12-15H,10-11H2,1-4H3,(H,24,26).
What are the key properties of N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 4.26, 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-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 44579163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).