N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide

C18H21NO2 — CID 3071658

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2cccc(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C18H21NO2/c1-21-16-9-8-13-4-2-5-14(17(13)12-16)10-11-19-18(20)15-6-3-7-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,19,20)
InChIKeyRDWVOUIULIZQSB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide (PubChem CID 3071658) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide
PubChem CID3071658
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2cccc(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C18H21NO2/c1-21-16-9-8-13-4-2-5-14(17(13)12-16)10-11-19-18(20)15-6-3-7-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,19,20)
InChIKeyRDWVOUIULIZQSB-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide (CID 3071658) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide is COc1ccc2cccc(CCNC(=O)C3CCC3)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is RDWVOUIULIZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-16-9-8-13-4-2-5-14(17(13)12-16)10-11-19-18(20)15-6-3-7-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 3071658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).