(2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide

C18H32N2O2 — CID 99783495

IUPAC(2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide
SMILESC[C@@H](C(=O)NCC1CCCCC1)N1CCOCC2(CCC2)C1
InChIInChI=1S/C18H32N2O2/c1-15(17(21)19-12-16-6-3-2-4-7-16)20-10-11-22-14-18(13-20)8-5-9-18/h15-16H,2-14H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyBZVPLPMXNUEAIJ-HNNXBMFYSA-N
MW308.47 g/mol
LogP2.57
Rot. Bonds4

About (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide

(2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide (PubChem CID 99783495) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide
PubChem CID99783495
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide
SMILESC[C@@H](C(=O)NCC1CCCCC1)N1CCOCC2(CCC2)C1
InChIInChI=1S/C18H32N2O2/c1-15(17(21)19-12-16-6-3-2-4-7-16)20-10-11-22-14-18(13-20)8-5-9-18/h15-16H,2-14H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyBZVPLPMXNUEAIJ-HNNXBMFYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide (CID 99783495) is (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide is C[C@@H](C(=O)NCC1CCCCC1)N1CCOCC2(CCC2)C1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide?
The InChIKey is BZVPLPMXNUEAIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15(17(21)19-12-16-6-3-2-4-7-16)20-10-11-22-14-18(13-20)8-5-9-18/h15-16H,2-14H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide?
(2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide has a molecular weight of 308.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)propanamide is sourced from PubChem (CID 99783495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).