N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide

C27H33NO4 — CID 118857674

IUPACN-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide
SMILESCC(=O)CC(CC(C)=O)CN(Cc1ccccc1)C(=O)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C27H33NO4/c1-19(29)13-22(14-20(2)30)18-28(17-21-7-4-3-5-8-21)27(32)16-24-10-6-9-23-15-25(31)11-12-26(23)24/h3-5,7-8,11-12,15,22,24,31H,6,9-10,13-14,16-18H2,1-2H3
InChIKeyFOJJFZSCLUGHCA-UHFFFAOYSA-N
MW435.56 g/mol
LogP4.81
Rot. Bonds10

About N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide

N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide (PubChem CID 118857674) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide
PubChem CID118857674
Molecular FormulaC27H33NO4
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC NameN-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide
SMILESCC(=O)CC(CC(C)=O)CN(Cc1ccccc1)C(=O)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C27H33NO4/c1-19(29)13-22(14-20(2)30)18-28(17-21-7-4-3-5-8-21)27(32)16-24-10-6-9-23-15-25(31)11-12-26(23)24/h3-5,7-8,11-12,15,22,24,31H,6,9-10,13-14,16-18H2,1-2H3
InChIKeyFOJJFZSCLUGHCA-UHFFFAOYSA-N
XLogP4.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)-N-[[3-(2-oxopropyl)phenyl]methyl]acetamide
CID 118857690
N-[(3-acetylphenyl)methyl]-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(2-oxopropyl)acetamide
CID 118857568
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67913401
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67913400
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide?
The IUPAC name of N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide (CID 118857674) is N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide.
What is the SMILES notation for N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide?
The canonical SMILES for N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide is CC(=O)CC(CC(C)=O)CN(Cc1ccccc1)C(=O)CC1CCCc2cc(O)ccc21.
What is the InChIKey of N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide?
The InChIKey is FOJJFZSCLUGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-19(29)13-22(14-20(2)30)18-28(17-21-7-4-3-5-8-21)27(32)16-24-10-6-9-23-15-25(31)11-12-26(23)24/h3-5,7-8,11-12,15,22,24,31H,6,9-10,13-14,16-18H2,1-2H3.
What are the key properties of N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide?
N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide has a molecular weight of 435.56 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[4-oxo-2-(2-oxopropyl)pentyl]acetamide is sourced from PubChem (CID 118857674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).