N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide

C17H26N2O2 — CID 155139476

IUPACN-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CC[C@@H]2C(C)(C)C(O)C(C#N)=C[C@@]2(C)C1
InChIInChI=1S/C17H26N2O2/c1-11(20)19(5)13-6-7-14-16(2,3)15(21)12(10-18)8-17(14,4)9-13/h8,13-15,21H,6-7,9H2,1-5H3/t13-,14-,15?,17+/m1/s1
InChIKeyFBYWVFLNVOUQIJ-KUPILIRXSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds1

About N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide

N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide (PubChem CID 155139476) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide
PubChem CID155139476
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CC[C@@H]2C(C)(C)C(O)C(C#N)=C[C@@]2(C)C1
InChIInChI=1S/C17H26N2O2/c1-11(20)19(5)13-6-7-14-16(2,3)15(21)12(10-18)8-17(14,4)9-13/h8,13-15,21H,6-7,9H2,1-5H3/t13-,14-,15?,17+/m1/s1
InChIKeyFBYWVFLNVOUQIJ-KUPILIRXSA-N
XLogP2.49
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2R,4aS,8aR)-7-cyano-5,5,8a-trimethyl-6-oxo-2,3,4,4a-tetrahydro-1H-naphthalen-2-yl]-N-methylacetamide
CID 138660433
(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(dimethylamino)-3-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-13-oxo-4a,5,6,6a,7,8,9,10,12,12a-decahydro-3H-picene-2-carbonitrile
CID 155021726
N-(4-hydroxy-4-methylcyclohexyl)-N-methylacetamide
CID 167220472
N-(1-hydroxy-2,2-dimethylpiperidin-4-yl)-N-methylacetamide
CID 142013410
(10aR)-7-hydroxy-4b,8,8-trimethyl-3-oxo-7,8a,9,10-tetrahydrophenanthrene-2,6,10a-tricarbonitrile
CID 142265734
(4aR,7R,8aS)-7-hydroxy-4,4,8a-trimethyl-3-oxo-5,6,7,8-tetrahydro-4aH-naphthalene-2-carbonitrile
CID 138660907
(4aS,6aR,6bR,12aR)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-N-(2,2,2-trifluoroethyl)-3,4,5,6,6a,7,8,8a,10,13,14a,14b-dodecahydro-1H-picene-4a-carboxamide
CID 153024968
(4aS,8aR)-2-hydroxy-8a-(hydroxymethyl)-1,1,4a-trimethyl-6-oxo-2,7,8,9,10,10a-hexahydrophenanthrene-3-carbonitrile
CID 142265697
(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(dimethoxyphosphorylmethyl)-3-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-13-oxo-4a,5,6,6a,7,8,9,10,12,12a-decahydro-3H-picene-2-carbonitrile
CID 146506162
[2-[[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,7,8,8a,10,14a,14b-decahydro-1H-picen-4a-yl]amino]ethyl-methyl-oxo-λ6-sulfanylidene]cyanamide
CID 146506157
(4aS,6R,8aS)-6-ethyl-3-isocyano-1,1,4a-trimethyl-6,7,8,8a-tetrahydro-5H-naphthalen-2-one;N-[(2R,4aS,8aS)-7-isocyano-5,5,8a-trimethyl-6-oxo-2,3,4,4a-tetrahydro-1H-naphthalen-2-yl]-N-methylbenzamide;hydrochloride
CID 158133474
N-methyl-N-(4-methylphosphanylcyclohexyl)acetamide
CID 70909497

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide?
The IUPAC name of N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide (CID 155139476) is N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CC[C@@H]2C(C)(C)C(O)C(C#N)=C[C@@]2(C)C1.
What is the InChIKey of N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide?
The InChIKey is FBYWVFLNVOUQIJ-KUPILIRXSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(20)19(5)13-6-7-14-16(2,3)15(21)12(10-18)8-17(14,4)9-13/h8,13-15,21H,6-7,9H2,1-5H3/t13-,14-,15?,17+/m1/s1.
What are the key properties of N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide?
N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aS,8aR)-7-cyano-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6-hexahydronaphthalen-2-yl]-N-methylacetamide is sourced from PubChem (CID 155139476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).