N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide

C21H31N2O3+ — CID 4594936

IUPACN-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)[NH+]1CCC2(CC1)OCCO2
InChIInChI=1S/C21H30N2O3/c24-20(22-18-9-5-2-6-10-18)19(17-7-3-1-4-8-17)23-13-11-21(12-14-23)25-15-16-26-21/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,24)/p+1
InChIKeyJKWIZPLNSDXSNA-UHFFFAOYSA-O
MW359.49 g/mol
LogP1.60
Rot. Bonds4

About N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide

N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide (PubChem CID 4594936) has the molecular formula C21H31N2O3+ and a molecular weight of 359.49 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide
PubChem CID4594936
Molecular FormulaC21H31N2O3+
Molecular Weight359.49 g/mol
Exact Mass359.23
IUPAC NameN-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)[NH+]1CCC2(CC1)OCCO2
InChIInChI=1S/C21H30N2O3/c24-20(22-18-9-5-2-6-10-18)19(17-7-3-1-4-8-17)23-13-11-21(12-14-23)25-15-16-26-21/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,24)/p+1
InChIKeyJKWIZPLNSDXSNA-UHFFFAOYSA-O
XLogP1.60
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
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2-chloro-N-cyclohexyl-2-phenylacetamide
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2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
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(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 9027647
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
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CID 70268253
(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 9042971
(2S)-N-cyclopropyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 9035564
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide (CID 4594936) is N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide is O=C(NC1CCCCC1)C(c1ccccc1)[NH+]1CCC2(CC1)OCCO2.
What is the InChIKey of N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide?
The InChIKey is JKWIZPLNSDXSNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H30N2O3/c24-20(22-18-9-5-2-6-10-18)19(17-7-3-1-4-8-17)23-13-11-21(12-14-23)25-15-16-26-21/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,24)/p+1.
What are the key properties of N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide?
N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide has a molecular weight of 359.49 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide is sourced from PubChem (CID 4594936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).