N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C24H34N2O3 — CID 91924922

IUPACN-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CC(C(=O)NC2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C24H34N2O3/c1-18-7-5-6-8-19(18)15-22(27)26-16-21(24(17-26)11-13-29-14-12-24)23(28)25-20-9-3-2-4-10-20/h5-8,20-21H,2-4,9-17H2,1H3,(H,25,28)
InChIKeyDXUNRUHUMQTORB-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.24
Rot. Bonds4

About N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924922) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924922
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CC(C(=O)NC2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C24H34N2O3/c1-18-7-5-6-8-19(18)15-22(27)26-16-21(24(17-26)11-13-29-14-12-24)23(28)25-20-9-3-2-4-10-20/h5-8,20-21H,2-4,9-17H2,1H3,(H,25,28)
InChIKeyDXUNRUHUMQTORB-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924922) is N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccccc1CC(=O)N1CC(C(=O)NC2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is DXUNRUHUMQTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-18-7-5-6-8-19(18)15-22(27)26-16-21(24(17-26)11-13-29-14-12-24)23(28)25-20-9-3-2-4-10-20/h5-8,20-21H,2-4,9-17H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).