2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide

C18H33NO3 — CID 99955718

IUPAC2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC1(C)CCC[C@]2(C)C[C@H](CC(=O)NCCO)[C@@](C)(O)C[C@@H]12
InChIInChI=1S/C18H33NO3/c1-16(2)6-5-7-17(3)11-13(10-15(21)19-8-9-20)18(4,22)12-14(16)17/h13-14,20,22H,5-12H2,1-4H3,(H,19,21)/t13-,14-,17+,18-/m0/s1
InChIKeySISCKMLKKGJVGI-ZZCKCESHSA-N
MW311.47 g/mol
LogP2.48
Rot. Bonds4

About 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide

2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 99955718) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID99955718
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC1(C)CCC[C@]2(C)C[C@H](CC(=O)NCCO)[C@@](C)(O)C[C@@H]12
InChIInChI=1S/C18H33NO3/c1-16(2)6-5-7-17(3)11-13(10-15(21)19-8-9-20)18(4,22)12-14(16)17/h13-14,20,22H,5-12H2,1-4H3,(H,19,21)/t13-,14-,17+,18-/m0/s1
InChIKeySISCKMLKKGJVGI-ZZCKCESHSA-N
XLogP2.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide 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 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide (CID 99955718) is 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide is CC1(C)CCC[C@]2(C)C[C@H](CC(=O)NCCO)[C@@](C)(O)C[C@@H]12.
What is the InChIKey of 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is SISCKMLKKGJVGI-ZZCKCESHSA-N. The full InChI is InChI=1S/C18H33NO3/c1-16(2)6-5-7-17(3)11-13(10-15(21)19-8-9-20)18(4,22)12-14(16)17/h13-14,20,22H,5-12H2,1-4H3,(H,19,21)/t13-,14-,17+,18-/m0/s1.
What are the key properties of 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide?
2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 311.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4aS,8aR)-3-hydroxy-3,5,5,8a-tetramethyl-2,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 99955718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).