1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide

C20H26N2O5 — CID 108978537

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H26N2O5/c1-14-3-4-16(25-2)15(13-14)21-17(23)19(5-6-19)18(24)22-9-7-20(8-10-22)26-11-12-27-20/h3-4,13H,5-12H2,1-2H3,(H,21,23)
InChIKeyRAKOUWCOAHHYKZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.09
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide

1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 108978537) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
PubChem CID108978537
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H26N2O5/c1-14-3-4-16(25-2)15(13-14)21-17(23)19(5-6-19)18(24)22-9-7-20(8-10-22)26-11-12-27-20/h3-4,13H,5-12H2,1-2H3,(H,21,23)
InChIKeyRAKOUWCOAHHYKZ-UHFFFAOYSA-N
XLogP2.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108977289
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]methanone
CID 109261615
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108978512
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372889
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109160004
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108978574
N-(2,5-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971649
N-(2-chloro-4,6-dimethylphenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 108978529
1-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108980063
1-N'-(2-methoxy-5-methylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983207
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide (CID 108978537) is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RAKOUWCOAHHYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14-3-4-16(25-2)15(13-14)21-17(23)19(5-6-19)18(24)22-9-7-20(8-10-22)26-11-12-27-20/h3-4,13H,5-12H2,1-2H3,(H,21,23).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).