N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide

C18H23NO2 — CID 23360808

IUPACN-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide
SMILESCCCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1
InChIInChI=1S/C18H23NO2/c1-4-5-14-10-15-6-7-17(21-3)12-18(15)16(11-14)8-9-19-13(2)20/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyPCPNZTFUPSDJNK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide

N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide (PubChem CID 23360808) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide
PubChem CID23360808
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide
SMILESCCCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1
InChIInChI=1S/C18H23NO2/c1-4-5-14-10-15-6-7-17(21-3)12-18(15)16(11-14)8-9-19-13(2)20/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyPCPNZTFUPSDJNK-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide (CID 23360808) is N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide is CCCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1.
What is the InChIKey of N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide?
The InChIKey is PCPNZTFUPSDJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-5-14-10-15-6-7-17(21-3)12-18(15)16(11-14)8-9-19-13(2)20/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 23360808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).