4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide

C19H32N2O4 — CID 109145270

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H32N2O4/c1-14(2)13-20-17(22)15-3-5-16(6-4-15)18(23)21-9-7-19(8-10-21)24-11-12-25-19/h14-16H,3-13H2,1-2H3,(H,20,22)
InChIKeySXXYPIQICAYHNC-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.93
Rot. Bonds4

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 109145270) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID109145270
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H32N2O4/c1-14(2)13-20-17(22)15-3-5-16(6-4-15)18(23)21-9-7-19(8-10-21)24-11-12-25-19/h14-16H,3-13H2,1-2H3,(H,20,22)
InChIKeySXXYPIQICAYHNC-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
CID 108941596
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 109148778
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylpropylamino)ethanone
CID 108993208
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide
CID 109149331
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110299714
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6464838
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide (CID 109145270) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide is CC(C)CNC(=O)C1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is SXXYPIQICAYHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-14(2)13-20-17(22)15-3-5-16(6-4-15)18(23)21-9-7-19(8-10-21)24-11-12-25-19/h14-16H,3-13H2,1-2H3,(H,20,22).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).