ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate

C24H27N3O2 — CID 51682615

IUPACethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@H]1c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-5-29-22(28)24(14-26)20(16-9-7-6-8-10-16)19-15(2)11-23(3,4)12-17(19)18(13-25)21(24)27/h6-10,15,20H,5,11-12,27H2,1-4H3/t15-,20+,24-/m0/s1
InChIKeyVZDYFOCXVQNZFM-VNJOCVIMSA-N
MW389.50 g/mol
LogP4.35
Rot. Bonds3

About ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate

ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 51682615) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID51682615
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Nameethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@H]1c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-5-29-22(28)24(14-26)20(16-9-7-6-8-10-16)19-15(2)11-23(3,4)12-17(19)18(13-25)21(24)27/h6-10,15,20H,5,11-12,27H2,1-4H3/t15-,20+,24-/m0/s1
InChIKeyVZDYFOCXVQNZFM-VNJOCVIMSA-N
XLogP4.35
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate 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

ethyl (1R,2S)-3-amino-2,4-dicyano-1-phenyl-5,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate
CID 668102
ethyl (1S,2R)-3-amino-2,4-dicyano-1-phenyl-5,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate
CID 668101
ethyl (1S,2R,8aR)-2,4-dicyano-3-oxo-1-phenyl-1,5,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 124764074
ethyl (1R,2S,8aS)-3-amino-2,4-dicyano-1-naphthalen-1-yl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate
CID 51614369
triethyl 2-cyano-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12613415
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl (1R,2S,4R,8aS)-2,4-dicyano-3-imino-1-phenyl-1,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 11859201
ethyl (1R,2S,3R,6R)-1-cyano-3-hydroxy-4-oxo-2,6-diphenylcyclohexane-1-carboxylate
CID 11451340
ethyl (1S,2S,6S)-2-(4-chlorophenyl)-1-cyano-4-oxo-6-phenylcyclohexane-1-carboxylate
CID 102597373
trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate (CID 51682615) is ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate is CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is VZDYFOCXVQNZFM-VNJOCVIMSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-29-22(28)24(14-26)20(16-9-7-6-8-10-16)19-15(2)11-23(3,4)12-17(19)18(13-25)21(24)27/h6-10,15,20H,5,11-12,27H2,1-4H3/t15-,20+,24-/m0/s1.
What are the key properties of ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate?
ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2S,8S)-3-amino-2,4-dicyano-6,6,8-trimethyl-1-phenyl-1,5,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 51682615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).