N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide

C20H23NO2 — CID 56834872

IUPACN-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
SMILESCCC(=O)N[C@@H]1Cc2c(OC)cccc2[C@H](c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-3-20(22)21-15-12-17(14-8-5-4-6-9-14)16-10-7-11-19(23-2)18(16)13-15/h4-11,15,17H,3,12-13H2,1-2H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyBSTOHFNKSSJFSU-RDJZCZTQSA-N
MW309.41 g/mol
LogP3.67
Rot. Bonds4

About N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide

N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide (PubChem CID 56834872) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
PubChem CID56834872
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
SMILESCCC(=O)N[C@@H]1Cc2c(OC)cccc2[C@H](c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-3-20(22)21-15-12-17(14-8-5-4-6-9-14)16-10-7-11-19(23-2)18(16)13-15/h4-11,15,17H,3,12-13H2,1-2H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyBSTOHFNKSSJFSU-RDJZCZTQSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
The IUPAC name of N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide (CID 56834872) is N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide.
What is the SMILES notation for N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
The canonical SMILES for N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide is CCC(=O)N[C@@H]1Cc2c(OC)cccc2[C@H](c2ccccc2)C1.
What is the InChIKey of N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
The InChIKey is BSTOHFNKSSJFSU-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-20(22)21-15-12-17(14-8-5-4-6-9-14)16-10-7-11-19(23-2)18(16)13-15/h4-11,15,17H,3,12-13H2,1-2H3,(H,21,22)/t15-,17-/m0/s1.
What are the key properties of N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide has a molecular weight of 309.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-8-methoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide is sourced from PubChem (CID 56834872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).