(4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide

C18H26N2O2 — CID 135113824

IUPAC(4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c1
InChIInChI=1S/C18H26N2O2/c1-13-9-14(2)11-15(10-13)19-17(22)20-8-4-7-18(12-20)6-3-5-16(18)21/h9-11,16,21H,3-8,12H2,1-2H3,(H,19,22)/t16-,18-/m1/s1
InChIKeySIRDTCHERAPODK-SJLPKXTDSA-N
MW302.42 g/mol
LogP3.46
Rot. Bonds1

About (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide

(4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 135113824) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID135113824
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c1
InChIInChI=1S/C18H26N2O2/c1-13-9-14(2)11-15(10-13)19-17(22)20-8-4-7-18(12-20)6-3-5-16(18)21/h9-11,16,21H,3-8,12H2,1-2H3,(H,19,22)/t16-,18-/m1/s1
InChIKeySIRDTCHERAPODK-SJLPKXTDSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-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 (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide (CID 135113824) is (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide is Cc1cc(C)cc(NC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c1.
What is the InChIKey of (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is SIRDTCHERAPODK-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-9-14(2)11-15(10-13)19-17(22)20-8-4-7-18(12-20)6-3-5-16(18)21/h9-11,16,21H,3-8,12H2,1-2H3,(H,19,22)/t16-,18-/m1/s1.
What are the key properties of (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide?
(4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N-(3,5-dimethylphenyl)-4-hydroxy-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 135113824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).