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

C22H27NO2 — CID 42629718

IUPACN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C22H27NO2/c1-3-22(24)23-12-11-18-14-19(16-7-5-4-6-8-16)13-17-9-10-20(25-2)15-21(17)18/h4-10,15,18-19H,3,11-14H2,1-2H3,(H,23,24)
InChIKeyIWNXDLGQZHITSH-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.43
Rot. Bonds6

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

N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide (PubChem CID 42629718) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide
PubChem CID42629718
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C22H27NO2/c1-3-22(24)23-12-11-18-14-19(16-7-5-4-6-8-16)13-17-9-10-20(25-2)15-21(17)18/h4-10,15,18-19H,3,11-14H2,1-2H3,(H,23,24)
InChIKeyIWNXDLGQZHITSH-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.43
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]propanamide?
The IUPAC name of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide (CID 42629718) is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide is CCC(=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]propanamide?
The InChIKey is IWNXDLGQZHITSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-22(24)23-12-11-18-14-19(16-7-5-4-6-8-16)13-17-9-10-20(25-2)15-21(17)18/h4-10,15,18-19H,3,11-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide?
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide has a molecular weight of 337.46 g/mol, XLogP of 4.43, 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-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propanamide is sourced from PubChem (CID 42629718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).