cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate

C23H29NO4 — CID 102337438

IUPACcis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[C@H]1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H29NO4/c1-13(2)16-9-8-14(3)10-20(16)28-23(27)19-11-15(19)12-24-21(25)17-6-4-5-7-18(17)22(24)26/h4-7,13-16,19-20H,8-12H2,1-3H3/t14-,15+,16+,19-,20-/m1/s1
InChIKeyWAWNUNCELKSYKD-OPOMMLRYSA-N
MW383.49 g/mol
LogP3.92
Rot. Bonds5

About cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate

cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate (PubChem CID 102337438) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
PubChem CID102337438
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namecis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[C@H]1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H29NO4/c1-13(2)16-9-8-14(3)10-20(16)28-23(27)19-11-15(19)12-24-21(25)17-6-4-5-7-18(17)22(24)26/h4-7,13-16,19-20H,8-12H2,1-3H3/t14-,15+,16+,19-,20-/m1/s1
InChIKeyWAWNUNCELKSYKD-OPOMMLRYSA-N
XLogP3.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate 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 cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate (CID 102337438) is cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[C@H]1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate?
The InChIKey is WAWNUNCELKSYKD-OPOMMLRYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-13(2)16-9-8-14(3)10-20(16)28-23(27)19-11-15(19)12-24-21(25)17-6-4-5-7-18(17)22(24)26/h4-7,13-16,19-20H,8-12H2,1-3H3/t14-,15+,16+,19-,20-/m1/s1.
What are the key properties of cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate?
cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 102337438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).