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

C24H27NO4 — CID 118857568

IUPACN-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide
SMILESCC(=O)CN(Cc1cccc(C(C)=O)c1)C(=O)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C24H27NO4/c1-16(26)14-25(15-18-5-3-6-19(11-18)17(2)27)24(29)13-21-8-4-7-20-12-22(28)9-10-23(20)21/h3,5-6,9-12,21,28H,4,7-8,13-15H2,1-2H3
InChIKeyDGCXYLCGFRRNNR-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.02
Rot. Bonds7

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

N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide (PubChem CID 118857568) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide
PubChem CID118857568
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC NameN-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide
SMILESCC(=O)CN(Cc1cccc(C(C)=O)c1)C(=O)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C24H27NO4/c1-16(26)14-25(15-18-5-3-6-19(11-18)17(2)27)24(29)13-21-8-4-7-20-12-22(28)9-10-23(20)21/h3,5-6,9-12,21,28H,4,7-8,13-15H2,1-2H3
InChIKeyDGCXYLCGFRRNNR-UHFFFAOYSA-N
XLogP4.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide?
The IUPAC name of N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide (CID 118857568) is N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide.
What is the SMILES notation for N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide?
The canonical SMILES for N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide is CC(=O)CN(Cc1cccc(C(C)=O)c1)C(=O)CC1CCCc2cc(O)ccc21.
What is the InChIKey of N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide?
The InChIKey is DGCXYLCGFRRNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16(26)14-25(15-18-5-3-6-19(11-18)17(2)27)24(29)13-21-8-4-7-20-12-22(28)9-10-23(20)21/h3,5-6,9-12,21,28H,4,7-8,13-15H2,1-2H3.
What are the key properties of N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide?
N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide has a molecular weight of 393.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 118857568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).