(1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide

C27H40N2O2 — CID 166107773

IUPAC(1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCCNC(=O)N1CCC[C@@]2(CCCC(=O)C2)[C@@H]1CCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H40N2O2/c1-2-28-26(31)29-19-7-18-27(17-6-10-24(30)20-27)25(29)16-13-21-11-14-23(15-12-21)22-8-4-3-5-9-22/h3-5,8-9,21,23,25H,2,6-7,10-20H2,1H3,(H,28,31)/t21?,23?,25-,27+/m0/s1
InChIKeyQGSYOHQPTJEAGF-SZSHLIKESA-N
MW424.63 g/mol
LogP6.06
Rot. Bonds5

About (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide

(1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 166107773) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound Name(1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID166107773
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC Name(1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCCNC(=O)N1CCC[C@@]2(CCCC(=O)C2)[C@@H]1CCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H40N2O2/c1-2-28-26(31)29-19-7-18-27(17-6-10-24(30)20-27)25(29)16-13-21-11-14-23(15-12-21)22-8-4-3-5-9-22/h3-5,8-9,21,23,25H,2,6-7,10-20H2,1H3,(H,28,31)/t21?,23?,25-,27+/m0/s1
InChIKeyQGSYOHQPTJEAGF-SZSHLIKESA-N
XLogP6.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-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 (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide (CID 166107773) is (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide is CCNC(=O)N1CCC[C@@]2(CCCC(=O)C2)[C@@H]1CCC1CCC(c2ccccc2)CC1.
What is the InChIKey of (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is QGSYOHQPTJEAGF-SZSHLIKESA-N. The full InChI is InChI=1S/C27H40N2O2/c1-2-28-26(31)29-19-7-18-27(17-6-10-24(30)20-27)25(29)16-13-21-11-14-23(15-12-21)22-8-4-3-5-9-22/h3-5,8-9,21,23,25H,2,6-7,10-20H2,1H3,(H,28,31)/t21?,23?,25-,27+/m0/s1.
What are the key properties of (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide?
(1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 424.63 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-N-ethyl-10-oxo-1-[2-(4-phenylcyclohexyl)ethyl]-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 166107773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).