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

C21H28N2O4 — CID 108978512

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C21H28N2O4/c1-15(2)16-5-3-4-6-17(16)22-18(24)20(7-8-20)19(25)23-11-9-21(10-12-23)26-13-14-27-21/h3-6,15H,7-14H2,1-2H3,(H,22,24)
InChIKeyNOBZILKBMMABGN-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.89
Rot. Bonds4

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

1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 108978512) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID108978512
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C21H28N2O4/c1-15(2)16-5-3-4-6-17(16)22-18(24)20(7-8-20)19(25)23-11-9-21(10-12-23)26-13-14-27-21/h3-6,15H,7-14H2,1-2H3,(H,22,24)
InChIKeyNOBZILKBMMABGN-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
CID 108985990
1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108974325
N-(2-tert-butylphenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 108978517
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108978537
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80591264
1-N'-tert-butyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979351
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109215694
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108978574
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109331809
1-N-(2-propan-2-ylphenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108981987
1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981990

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 108978512) is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1ccccc1NC(=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-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is NOBZILKBMMABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15(2)16-5-3-4-6-17(16)22-18(24)20(7-8-20)19(25)23-11-9-21(10-12-23)26-13-14-27-21/h3-6,15H,7-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).