N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide

C23H29NO2 — CID 22133237

IUPACN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C23H29NO2/c1-3-7-23(25)24-13-12-19-15-20(17-8-5-4-6-9-17)14-18-10-11-21(26-2)16-22(18)19/h4-6,8-11,16,19-20H,3,7,12-15H2,1-2H3,(H,24,25)
InChIKeyPIGKQNFHIVEDBG-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.82
Rot. Bonds7

About N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide

N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide (PubChem CID 22133237) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide
PubChem CID22133237
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C23H29NO2/c1-3-7-23(25)24-13-12-19-15-20(17-8-5-4-6-9-17)14-18-10-11-21(26-2)16-22(18)19/h4-6,8-11,16,19-20H,3,7,12-15H2,1-2H3,(H,24,25)
InChIKeyPIGKQNFHIVEDBG-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.82
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-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide (CID 22133237) is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide is CCCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21.
What is the InChIKey of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide?
The InChIKey is PIGKQNFHIVEDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-7-23(25)24-13-12-19-15-20(17-8-5-4-6-9-17)14-18-10-11-21(26-2)16-22(18)19/h4-6,8-11,16,19-20H,3,7,12-15H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide?
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide has a molecular weight of 351.49 g/mol, XLogP of 4.82, 7 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-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide is sourced from PubChem (CID 22133237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).