N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C20H24ClNO3 — CID 74248713

IUPACN-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NC2(c3ccc(Cl)cc3)CCC2)C2(CCCCC2)O1
InChIInChI=1S/C20H24ClNO3/c21-15-7-5-14(6-8-15)19(9-4-10-19)22-18(24)16-13-17(23)25-20(16)11-2-1-3-12-20/h5-8,16H,1-4,9-13H2,(H,22,24)
InChIKeyYUGSWMGTWIIDBE-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.10
Rot. Bonds3

About N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 74248713) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID74248713
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC NameN-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NC2(c3ccc(Cl)cc3)CCC2)C2(CCCCC2)O1
InChIInChI=1S/C20H24ClNO3/c21-15-7-5-14(6-8-15)19(9-4-10-19)22-18(24)16-13-17(23)25-20(16)11-2-1-3-12-20/h5-8,16H,1-4,9-13H2,(H,22,24)
InChIKeyYUGSWMGTWIIDBE-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125175436
(4S)-N-(4-chloro-2-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7381271
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984
N-[1-(4-chlorophenyl)cyclohexyl]-2-(methylamino)acetamide
CID 119764374
N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 56730546
(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7367649
6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
CID 166444205
(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 706698
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766556
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclohexane-1-carboxamide
CID 119766559
(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 40520371
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 74248713) is N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)NC2(c3ccc(Cl)cc3)CCC2)C2(CCCCC2)O1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is YUGSWMGTWIIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c21-15-7-5-14(6-8-15)19(9-4-10-19)22-18(24)16-13-17(23)25-20(16)11-2-1-3-12-20/h5-8,16H,1-4,9-13H2,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclobutyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 74248713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).