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

C21H28N2O5 — CID 109138786

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H28N2O5/c1-14(2)28-18-6-4-3-5-17(18)22-19(24)15-13-16(15)20(25)23-9-7-21(8-10-23)26-11-12-27-21/h3-6,14-16H,7-13H2,1-2H3,(H,22,24)
InChIKeyWCSAPUBKJIWGLW-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.41
Rot. Bonds5

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

2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (PubChem CID 109138786) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
PubChem CID109138786
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H28N2O5/c1-14(2)28-18-6-4-3-5-17(18)22-19(24)15-13-16(15)20(25)23-9-7-21(8-10-23)26-11-12-27-21/h3-6,14-16H,7-13H2,1-2H3,(H,22,24)
InChIKeyWCSAPUBKJIWGLW-UHFFFAOYSA-N
XLogP2.41
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138754
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-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 109137808
N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138752
2-N-(2-methylpropyl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131536
1-N-(2,3-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141935
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141610
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134583
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143609
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (CID 109138786) is 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is CC(C)Oc1ccccc1NC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is WCSAPUBKJIWGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-14(2)28-18-6-4-3-5-17(18)22-19(24)15-13-16(15)20(25)23-9-7-21(8-10-23)26-11-12-27-21/h3-6,14-16H,7-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).