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

C17H21NO2 — CID 3071652

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cccc2ccc(OC)cc12
InChIInChI=1S/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19)
InChIKeyOLBZALDKGALNQC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.31
Rot. Bonds6

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

N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide (PubChem CID 3071652) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
PubChem CID3071652
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cccc2ccc(OC)cc12
InChIInChI=1S/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19)
InChIKeyOLBZALDKGALNQC-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
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]butanamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide (CID 3071652) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide is CCCC(=O)NCCc1cccc2ccc(OC)cc12.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide?
The InChIKey is OLBZALDKGALNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide has a molecular weight of 271.36 g/mol, XLogP of 3.31, 6 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]butanamide is sourced from PubChem (CID 3071652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).