N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide

C20H26N2O4 — CID 109138754

IUPACN-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H26N2O4/c1-13-4-3-5-14(2)17(13)21-18(23)15-12-16(15)19(24)22-8-6-20(7-9-22)25-10-11-26-20/h3-5,15-16H,6-12H2,1-2H3,(H,21,23)
InChIKeyCMXRXCBULJNSOK-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.24
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide

N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109138754) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
PubChem CID109138754
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H26N2O4/c1-13-4-3-5-14(2)17(13)21-18(23)15-12-16(15)19(24)22-8-6-20(7-9-22)25-10-11-26-20/h3-5,15-16H,6-12H2,1-2H3,(H,21,23)
InChIKeyCMXRXCBULJNSOK-UHFFFAOYSA-N
XLogP2.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138752
N-(2,6-dimethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134555
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109138800
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109138786
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6464838
2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84562373
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 109137808
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915
(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide
CID 94778881

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide (CID 109138754) is N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide is Cc1cccc(C)c1NC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is CMXRXCBULJNSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-4-3-5-14(2)17(13)21-18(23)15-12-16(15)19(24)22-8-6-20(7-9-22)25-10-11-26-20/h3-5,15-16H,6-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide?
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).