N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide

C15H21NO2 — CID 10467155

IUPACN-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
SMILESCCCC(=O)NC1CCc2cccc(OC)c2C1
InChIInChI=1S/C15H21NO2/c1-3-5-15(17)16-12-9-8-11-6-4-7-14(18-2)13(11)10-12/h4,6-7,12H,3,5,8-10H2,1-2H3,(H,16,17)
InChIKeyIVNFMRONNXTTHN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds4

About N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide

N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 10467155) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
PubChem CID10467155
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
SMILESCCCC(=O)NC1CCc2cccc(OC)c2C1
InChIInChI=1S/C15H21NO2/c1-3-5-15(17)16-12-9-8-11-6-4-7-14(18-2)13(11)10-12/h4,6-7,12H,3,5,8-10H2,1-2H3,(H,16,17)
InChIKeyIVNFMRONNXTTHN-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide (CID 10467155) is N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide is CCCC(=O)NC1CCc2cccc(OC)c2C1.
What is the InChIKey of N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is IVNFMRONNXTTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-5-15(17)16-12-9-8-11-6-4-7-14(18-2)13(11)10-12/h4,6-7,12H,3,5,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 247.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 10467155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).