(2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C18H31N3O3 — CID 164632228

IUPAC(2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCC1CCC(NC(=O)N2CCC3(CC2)NC(=O)[C@H](CC)O3)CC1
InChIInChI=1S/C18H31N3O3/c1-3-13-5-7-14(8-6-13)19-17(23)21-11-9-18(10-12-21)20-16(22)15(4-2)24-18/h13-15H,3-12H2,1-2H3,(H,19,23)(H,20,22)/t13?,14?,15-/m0/s1
InChIKeyQFIWFECZSBZNSA-NRXISQOPSA-N
MW337.46 g/mol
LogP2.38
Rot. Bonds3

About (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

(2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 164632228) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID164632228
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCC1CCC(NC(=O)N2CCC3(CC2)NC(=O)[C@H](CC)O3)CC1
InChIInChI=1S/C18H31N3O3/c1-3-13-5-7-14(8-6-13)19-17(23)21-11-9-18(10-12-21)20-16(22)15(4-2)24-18/h13-15H,3-12H2,1-2H3,(H,19,23)(H,20,22)/t13?,14?,15-/m0/s1
InChIKeyQFIWFECZSBZNSA-NRXISQOPSA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 164632228) is (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is CCC1CCC(NC(=O)N2CCC3(CC2)NC(=O)[C@H](CC)O3)CC1.
What is the InChIKey of (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is QFIWFECZSBZNSA-NRXISQOPSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-3-13-5-7-14(8-6-13)19-17(23)21-11-9-18(10-12-21)20-16(22)15(4-2)24-18/h13-15H,3-12H2,1-2H3,(H,19,23)(H,20,22)/t13?,14?,15-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
(2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(4-ethylcyclohexyl)-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 164632228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).