N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C24H34N2O3 — CID 91912661

IUPACN-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1
InChIInChI=1S/C24H34N2O3/c1-17-12-18(2)14-19(13-17)23(28)26-15-21(24(16-26)8-10-29-11-9-24)22(27)25-20-6-4-3-5-7-20/h12-14,20-21H,3-11,15-16H2,1-2H3,(H,25,27)
InChIKeyRFVKFDXSZRGCSB-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.62
Rot. Bonds3

About N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912661) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912661
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1
InChIInChI=1S/C24H34N2O3/c1-17-12-18(2)14-19(13-17)23(28)26-15-21(24(16-26)8-10-29-11-9-24)22(27)25-20-6-4-3-5-7-20/h12-14,20-21H,3-11,15-16H2,1-2H3,(H,25,27)
InChIKeyRFVKFDXSZRGCSB-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2,2-dimethylpropanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924803
N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924922
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
N-cyclohexyl-2-[2-(4-fluorophenoxy)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912674
N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912684
(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912387
N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912689
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97399848
N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912677
(4R)-N-cyclopentyl-2-(2-ethylbutanoyl)-2-azaspiro[4.4]nonane-4-carboxamide
CID 97429077
2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155872032
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912661) is N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1cc(C)cc(C(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is RFVKFDXSZRGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-17-12-18(2)14-19(13-17)23(28)26-15-21(24(16-26)8-10-29-11-9-24)22(27)25-20-6-4-3-5-7-20/h12-14,20-21H,3-11,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).