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

C21H28N2O5 — CID 109137808

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H28N2O5/c1-26-18-5-3-2-4-15(18)6-9-22-19(24)16-14-17(16)20(25)23-10-7-21(8-11-23)27-12-13-28-21/h2-5,16-17H,6-14H2,1H3,(H,22,24)
InChIKeyFIYXXMLZHPYYRF-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.36
Rot. Bonds6

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

2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 109137808) 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-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID109137808
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H28N2O5/c1-26-18-5-3-2-4-15(18)6-9-22-19(24)16-14-17(16)20(25)23-10-7-21(8-11-23)27-12-13-28-21/h2-5,16-17H,6-14H2,1H3,(H,22,24)
InChIKeyFIYXXMLZHPYYRF-UHFFFAOYSA-N
XLogP1.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000606
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one
CID 109025362
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109138786
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308616
2-N-[2-(2-methoxyphenyl)ethyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109137819
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-(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-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137840
N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 109137808) is 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1ccccc1CCNC(=O)C1CC1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is FIYXXMLZHPYYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-26-18-5-3-2-4-15(18)6-9-22-19(24)16-14-17(16)20(25)23-10-7-21(8-11-23)27-12-13-28-21/h2-5,16-17H,6-14H2,1H3,(H,22,24).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 1.36, 6 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-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109137808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).