(3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide

C19H24N4O2 — CID 97406794

IUPAC(3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide
SMILESCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)C(=O)N1
InChIInChI=1S/C19H24N4O2/c1-13-21-17(24)19(22-13)9-7-15-11-23(12-16(15)19)18(25)20-10-8-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,20,25)(H,21,22,24)/t15-,16+,19-/m1/s1
InChIKeyDFDOOGXFYAJOFO-JTDSTZFVSA-N
MW340.43 g/mol
LogP1.57
Rot. Bonds3

About (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide

(3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide (PubChem CID 97406794) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide.

Molecular Properties

Compound Name(3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide
PubChem CID97406794
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide
SMILESCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)C(=O)N1
InChIInChI=1S/C19H24N4O2/c1-13-21-17(24)19(22-13)9-7-15-11-23(12-16(15)19)18(25)20-10-8-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,20,25)(H,21,22,24)/t15-,16+,19-/m1/s1
InChIKeyDFDOOGXFYAJOFO-JTDSTZFVSA-N
XLogP1.57
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide 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 (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide?
The IUPAC name of (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide (CID 97406794) is (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide.
What is the SMILES notation for (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide?
The canonical SMILES for (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide is CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)C(=O)N1.
What is the InChIKey of (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide?
The InChIKey is DFDOOGXFYAJOFO-JTDSTZFVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-21-17(24)19(22-13)9-7-15-11-23(12-16(15)19)18(25)20-10-8-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,20,25)(H,21,22,24)/t15-,16+,19-/m1/s1.
What are the key properties of (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide?
(3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-2'-methyl-5'-oxo-N-(2-phenylethyl)spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,4'-1H-imidazole]-2-carboxamide is sourced from PubChem (CID 97406794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).