2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide

C25H29NO4 — CID 118857690

IUPAC2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide
SMILESCC(=O)Cc1cccc(CN(CC(C)=O)C(=O)CC2CCCc3cc(O)ccc32)c1
InChIInChI=1S/C25H29NO4/c1-17(27)11-19-5-3-6-20(12-19)16-26(15-18(2)28)25(30)14-22-8-4-7-21-13-23(29)9-10-24(21)22/h3,5-6,9-10,12-13,22,29H,4,7-8,11,14-16H2,1-2H3
InChIKeyWVEQLDFWWMUFOZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.95
Rot. Bonds8

About 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide

2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide (PubChem CID 118857690) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide
PubChem CID118857690
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide
SMILESCC(=O)Cc1cccc(CN(CC(C)=O)C(=O)CC2CCCc3cc(O)ccc32)c1
InChIInChI=1S/C25H29NO4/c1-17(27)11-19-5-3-6-20(12-19)16-26(15-18(2)28)25(30)14-22-8-4-7-21-13-23(29)9-10-24(21)22/h3,5-6,9-10,12-13,22,29H,4,7-8,11,14-16H2,1-2H3
InChIKeyWVEQLDFWWMUFOZ-UHFFFAOYSA-N
XLogP3.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide
CID 118857568
N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide
CID 118857674
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
1-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-one
CID 159618617
5-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998540
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67913401
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67913400
[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
CID 125487195

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide (CID 118857690) is 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide is CC(=O)Cc1cccc(CN(CC(C)=O)C(=O)CC2CCCc3cc(O)ccc32)c1.
What is the InChIKey of 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide?
The InChIKey is WVEQLDFWWMUFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-17(27)11-19-5-3-6-20(12-19)16-26(15-18(2)28)25(30)14-22-8-4-7-21-13-23(29)9-10-24(21)22/h3,5-6,9-10,12-13,22,29H,4,7-8,11,14-16H2,1-2H3.
What are the key properties of 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide?
2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide is sourced from PubChem (CID 118857690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).