N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide

C25H25NO2 — CID 2287921

IUPACN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide
SMILESCOc1cc2c(cc1NC(=O)C(c1ccccc1)c1ccccc1)CCCC2
InChIInChI=1S/C25H25NO2/c1-28-23-17-21-15-9-8-14-20(21)16-22(23)26-25(27)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,16-17,24H,8-9,14-15H2,1H3,(H,26,27)
InChIKeyWPGMCEKTWKYFMJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.34
Rot. Bonds5

About N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide

N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide (PubChem CID 2287921) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide
PubChem CID2287921
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide
SMILESCOc1cc2c(cc1NC(=O)C(c1ccccc1)c1ccccc1)CCCC2
InChIInChI=1S/C25H25NO2/c1-28-23-17-21-15-9-8-14-20(21)16-22(23)26-25(27)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,16-17,24H,8-9,14-15H2,1H3,(H,26,27)
InChIKeyWPGMCEKTWKYFMJ-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide (CID 2287921) is N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide is COc1cc2c(cc1NC(=O)C(c1ccccc1)c1ccccc1)CCCC2.
What is the InChIKey of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide?
The InChIKey is WPGMCEKTWKYFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-28-23-17-21-15-9-8-14-20(21)16-22(23)26-25(27)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,16-17,24H,8-9,14-15H2,1H3,(H,26,27).
What are the key properties of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide?
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide has a molecular weight of 371.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 2287921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).