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

C20H23NO2 — CID 42629717

IUPACN-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)C(CNC(C)=O)CC(c1ccccc1)C2
InChIInChI=1S/C20H23NO2/c1-14(22)21-13-18-11-17(15-6-4-3-5-7-15)10-16-8-9-19(23-2)12-20(16)18/h3-9,12,17-18H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyYCZDNGVQAVIRER-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.64
Rot. Bonds4

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

N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide (PubChem CID 42629717) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide
PubChem CID42629717
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)C(CNC(C)=O)CC(c1ccccc1)C2
InChIInChI=1S/C20H23NO2/c1-14(22)21-13-18-11-17(15-6-4-3-5-7-15)10-16-8-9-19(23-2)12-20(16)18/h3-9,12,17-18H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyYCZDNGVQAVIRER-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide?
The IUPAC name of N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide (CID 42629717) is N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide is COc1ccc2c(c1)C(CNC(C)=O)CC(c1ccccc1)C2.
What is the InChIKey of N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide?
The InChIKey is YCZDNGVQAVIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(22)21-13-18-11-17(15-6-4-3-5-7-15)10-16-8-9-19(23-2)12-20(16)18/h3-9,12,17-18H,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide?
N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 42629717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).