N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide

C22H32N2O3 — CID 4594938

IUPACN-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C22H32N2O3/c1-17-7-9-18(10-8-17)20(21(25)23-19-5-3-2-4-6-19)24-13-11-22(12-14-24)26-15-16-27-22/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyDOPRZTHWYUQJKW-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.32
Rot. Bonds4

About N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide

N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide (PubChem CID 4594938) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide
PubChem CID4594938
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C22H32N2O3/c1-17-7-9-18(10-8-17)20(21(25)23-19-5-3-2-4-6-19)24-13-11-22(12-14-24)26-15-16-27-22/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyDOPRZTHWYUQJKW-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide (CID 4594938) is N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is DOPRZTHWYUQJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17-7-9-18(10-8-17)20(21(25)23-19-5-3-2-4-6-19)24-13-11-22(12-14-24)26-15-16-27-22/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide?
N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 372.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 4594938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).