N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide

C17H23N3O4 — CID 170380631

IUPACN-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide
SMILESCC1=C(C)OC2(CN(C(=O)C3(C(=O)NC4CCC4)CC3)C2)C(=O)N1
InChIInChI=1S/C17H23N3O4/c1-10-11(2)24-17(14(22)18-10)8-20(9-17)15(23)16(6-7-16)13(21)19-12-4-3-5-12/h12H,3-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyPPJJHZQRNBUYKG-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.41
Rot. Bonds3

About N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide

N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide (PubChem CID 170380631) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide
PubChem CID170380631
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide
SMILESCC1=C(C)OC2(CN(C(=O)C3(C(=O)NC4CCC4)CC3)C2)C(=O)N1
InChIInChI=1S/C17H23N3O4/c1-10-11(2)24-17(14(22)18-10)8-20(9-17)15(23)16(6-7-16)13(21)19-12-4-3-5-12/h12H,3-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyPPJJHZQRNBUYKG-UHFFFAOYSA-N
XLogP0.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971761
ethyl 4-[1-(cyclopentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971804
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108974118
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
N-cyclopentyl-1-ethyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 45106070
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide (CID 170380631) is N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide is CC1=C(C)OC2(CN(C(=O)C3(C(=O)NC4CCC4)CC3)C2)C(=O)N1.
What is the InChIKey of N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is PPJJHZQRNBUYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-11(2)24-17(14(22)18-10)8-20(9-17)15(23)16(6-7-16)13(21)19-12-4-3-5-12/h12H,3-9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide?
N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 170380631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).