N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

C28H29NO3 — CID 68534392

IUPACN,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCN(CCc3cccc4ccc(OC)cc34)C(C)=O)c2c1
InChIInChI=1S/C28H29NO3/c1-20(30)29(16-14-23-8-4-6-21-10-12-25(31-2)18-27(21)23)17-15-24-9-5-7-22-11-13-26(32-3)19-28(22)24/h4-13,18-19H,14-17H2,1-3H3
InChIKeyFHMJYCOMJMSPND-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.64
Rot. Bonds8

About N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 68534392) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID68534392
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC NameN,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCN(CCc3cccc4ccc(OC)cc34)C(C)=O)c2c1
InChIInChI=1S/C28H29NO3/c1-20(30)29(16-14-23-8-4-6-21-10-12-25(31-2)18-27(21)23)17-15-24-9-5-7-22-11-13-26(32-3)19-28(22)24/h4-13,18-19H,14-17H2,1-3H3
InChIKeyFHMJYCOMJMSPND-UHFFFAOYSA-N
XLogP5.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
CID 71227732
N-(tert-butylsulfamoyl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 71227478
N,N-diethyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 170604527
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
CID 177154324
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 71227579
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 68534392) is N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cccc(CCN(CCc3cccc4ccc(OC)cc34)C(C)=O)c2c1.
What is the InChIKey of N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is FHMJYCOMJMSPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-20(30)29(16-14-23-8-4-6-21-10-12-25(31-2)18-27(21)23)17-15-24-9-5-7-22-11-13-26(32-3)19-28(22)24/h4-13,18-19H,14-17H2,1-3H3.
What are the key properties of N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 427.54 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 68534392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).