11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C21H32N4O4 — CID 155508555

IUPAC11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCc1nonc1C(=O)N1CCC2(CC1)CN(CCC1CCCCC1)C(=O)CCO2
InChIInChI=1S/C21H32N4O4/c1-16-19(23-29-22-16)20(27)24-12-9-21(10-13-24)15-25(18(26)8-14-28-21)11-7-17-5-3-2-4-6-17/h17H,2-15H2,1H3
InChIKeyPQGWVZJSUNIJOD-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.57
Rot. Bonds4

About 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155508555) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID155508555
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCc1nonc1C(=O)N1CCC2(CC1)CN(CCC1CCCCC1)C(=O)CCO2
InChIInChI=1S/C21H32N4O4/c1-16-19(23-29-22-16)20(27)24-12-9-21(10-13-24)15-25(18(26)8-14-28-21)11-7-17-5-3-2-4-6-17/h17H,2-15H2,1H3
InChIKeyPQGWVZJSUNIJOD-UHFFFAOYSA-N
XLogP2.57
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one with MolForge

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Related Compounds

11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135101012
(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146455
2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870949
11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155497544
11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155491795
7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226798
3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155506647
3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135091481
3-(2-chloro-6-fluorobenzoyl)-11-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135108909
2-(cyclopropylmethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124816533
3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135117107
3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502362

Frequently Asked Questions

What is the IUPAC name of 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155508555) is 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is Cc1nonc1C(=O)N1CCC2(CC1)CN(CCC1CCCCC1)C(=O)CCO2.
What is the InChIKey of 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is PQGWVZJSUNIJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-16-19(23-29-22-16)20(27)24-12-9-21(10-13-24)15-25(18(26)8-14-28-21)11-7-17-5-3-2-4-6-17/h17H,2-15H2,1H3.
What are the key properties of 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 404.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-cyclohexylethyl)-3-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155508555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).