7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide

C23H39NO4 — CID 67827691

IUPAC7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide
SMILESCCCCNC(=O)CC(O)CC(O)CCC1(C)CC=CC2=CC(C)CC(O)[C@@H]21
InChIInChI=1S/C23H39NO4/c1-4-5-11-24-21(28)15-19(26)14-18(25)8-10-23(3)9-6-7-17-12-16(2)13-20(27)22(17)23/h6-7,12,16,18-20,22,25-27H,4-5,8-11,13-15H2,1-3H3,(H,24,28)/t16?,18?,19?,20?,22-,23?/m1/s1
InChIKeyJMRGFILATOCAOM-FIZSFYLHSA-N
MW393.57 g/mol
LogP3.09
Rot. Bonds10

About 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide

7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide (PubChem CID 67827691) has the molecular formula C23H39NO4 and a molecular weight of 393.57 g/mol. Its IUPAC name is 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide.

Molecular Properties

Compound Name7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide
PubChem CID67827691
Molecular FormulaC23H39NO4
Molecular Weight393.57 g/mol
Exact Mass393.29
IUPAC Name7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide
SMILESCCCCNC(=O)CC(O)CC(O)CCC1(C)CC=CC2=CC(C)CC(O)[C@@H]21
InChIInChI=1S/C23H39NO4/c1-4-5-11-24-21(28)15-19(26)14-18(25)8-10-23(3)9-6-7-17-12-16(2)13-20(27)22(17)23/h6-7,12,16,18-20,22,25-27H,4-5,8-11,13-15H2,1-3H3,(H,24,28)/t16?,18?,19?,20?,22-,23?/m1/s1
InChIKeyJMRGFILATOCAOM-FIZSFYLHSA-N
XLogP3.09
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide?
The IUPAC name of 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide (CID 67827691) is 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide.
What is the SMILES notation for 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide?
The canonical SMILES for 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide is CCCCNC(=O)CC(O)CC(O)CCC1(C)CC=CC2=CC(C)CC(O)[C@@H]21.
What is the InChIKey of 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide?
The InChIKey is JMRGFILATOCAOM-FIZSFYLHSA-N. The full InChI is InChI=1S/C23H39NO4/c1-4-5-11-24-21(28)15-19(26)14-18(25)8-10-23(3)9-6-7-17-12-16(2)13-20(27)22(17)23/h6-7,12,16,18-20,22,25-27H,4-5,8-11,13-15H2,1-3H3,(H,24,28)/t16?,18?,19?,20?,22-,23?/m1/s1.
What are the key properties of 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide?
7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide has a molecular weight of 393.57 g/mol, XLogP of 3.09, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8aR)-8-hydroxy-1,6-dimethyl-6,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-N-butyl-3,5-dihydroxyheptanamide is sourced from PubChem (CID 67827691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).