4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

C21H24N2O4 — CID 146434135

IUPAC4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3CC(O)C[C@@H]23)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C21H24N2O4/c1-11(12-6-4-3-5-7-12)19-16(10-17(27-19)21(26)22-2)20(25)23-18-14-8-13(24)9-15(14)18/h3-7,10-11,13-15,18,24H,8-9H2,1-2H3,(H,22,26)(H,23,25)/t11-,13?,14-,15+,18?/m0/s1
InChIKeyRJWSVECGOZVJBV-KBRJCQGFSA-N
MW368.43 g/mol
LogP2.29
Rot. Bonds5

About 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 146434135) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID146434135
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3CC(O)C[C@@H]23)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C21H24N2O4/c1-11(12-6-4-3-5-7-12)19-16(10-17(27-19)21(26)22-2)20(25)23-18-14-8-13(24)9-15(14)18/h3-7,10-11,13-15,18,24H,8-9H2,1-2H3,(H,22,26)(H,23,25)/t11-,13?,14-,15+,18?/m0/s1
InChIKeyRJWSVECGOZVJBV-KBRJCQGFSA-N
XLogP2.29
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide 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 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 146434135) is 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2[C@H]3CC(O)C[C@@H]23)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is RJWSVECGOZVJBV-KBRJCQGFSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-11(12-6-4-3-5-7-12)19-16(10-17(27-19)21(26)22-2)20(25)23-18-14-8-13(24)9-15(14)18/h3-7,10-11,13-15,18,24H,8-9H2,1-2H3,(H,22,26)(H,23,25)/t11-,13?,14-,15+,18?/m0/s1.
What are the key properties of 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 146434135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).