N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide

C23H32N2O4 — CID 3244514

IUPACN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2)C1CCCCC1
InChIInChI=1S/C23H32N2O4/c26-21(19-9-5-2-6-10-19)24-20(17-18-7-3-1-4-8-18)22(27)25-13-11-23(12-14-25)28-15-16-29-23/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,24,26)
InChIKeyYNERUENKSBMOLQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.66
Rot. Bonds5

About N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide

N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 3244514) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
PubChem CID3244514
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2)C1CCCCC1
InChIInChI=1S/C23H32N2O4/c26-21(19-9-5-2-6-10-19)24-20(17-18-7-3-1-4-8-18)22(27)25-13-11-23(12-14-25)28-15-16-29-23/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,24,26)
InChIKeyYNERUENKSBMOLQ-UHFFFAOYSA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide 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 N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide (CID 3244514) is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide is O=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2)C1CCCCC1.
What is the InChIKey of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is YNERUENKSBMOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c26-21(19-9-5-2-6-10-19)24-20(17-18-7-3-1-4-8-18)22(27)25-13-11-23(12-14-25)28-15-16-29-23/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,24,26).
What are the key properties of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide?
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3244514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).