N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide

C18H31N3O2 — CID 71869826

IUPACN-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide
SMILESCN(CCCNC(=O)N1CCC2(CCCC2)C1)C(=O)C1CCC1
InChIInChI=1S/C18H31N3O2/c1-20(16(22)15-6-4-7-15)12-5-11-19-17(23)21-13-10-18(14-21)8-2-3-9-18/h15H,2-14H2,1H3,(H,19,23)
InChIKeyQNPRAEGSMZMQTA-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.61
Rot. Bonds5

About N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide

N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide (PubChem CID 71869826) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide
PubChem CID71869826
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide
SMILESCN(CCCNC(=O)N1CCC2(CCCC2)C1)C(=O)C1CCC1
InChIInChI=1S/C18H31N3O2/c1-20(16(22)15-6-4-7-15)12-5-11-19-17(23)21-13-10-18(14-21)8-2-3-9-18/h15H,2-14H2,1H3,(H,19,23)
InChIKeyQNPRAEGSMZMQTA-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 71971656
1-[(1-Ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 75380392
N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 99840158
(5S)-N-(2-cyclobutyl-2-methylpropyl)-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 164633869
1-[3-(3-Tert-butyl-2,5-dioxopyrrolidin-1-yl)propyl]-3-(5,5-dimethylhexyl)urea
CID 132217253
1-[3-(3-Tert-butyl-2,5-dioxopyrrolidin-1-yl)propyl]-3-hexylurea
CID 132222176
1-[3-[1-(Cyclopentanecarbonyl)pyrrolidin-3-yl]propyl]-3-methylurea
CID 169955057
1-[5-[1-(Cyclopentanecarbonyl)pyrrolidin-3-yl]pentyl]-3-methylurea
CID 169955061
N-[3-(cyclobutanecarbonylamino)propyl]-2-azaspiro[4.5]decane-2-carboxamide
CID 71924659
N-[3-(2-cyclopentylethylcarbamoylamino)propyl]cyclobutanecarboxamide
CID 71924700
N-[3-[(1-ethylcyclobutyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
CID 71974441
2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
CID 75419534

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide (CID 71869826) is N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide is CN(CCCNC(=O)N1CCC2(CCCC2)C1)C(=O)C1CCC1.
What is the InChIKey of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide?
The InChIKey is QNPRAEGSMZMQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-20(16(22)15-6-4-7-15)12-5-11-19-17(23)21-13-10-18(14-21)8-2-3-9-18/h15H,2-14H2,1H3,(H,19,23).
What are the key properties of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide?
N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 71869826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).