3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide

C20H34N4O2 — CID 125161054

IUPAC3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NC[C@@H]1CCC2(CCN(C(C)C)CC2)O1
InChIInChI=1S/C20H34N4O2/c1-4-18-21-10-14-24(18)11-6-19(25)22-15-17-5-7-20(26-17)8-12-23(13-9-20)16(2)3/h10,14,16-17H,4-9,11-13,15H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyDYIPJEPFZMOXRG-KRWDZBQOSA-N
MW362.52 g/mol
LogP2.37
Rot. Bonds7

About 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide

3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide (PubChem CID 125161054) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
PubChem CID125161054
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NC[C@@H]1CCC2(CCN(C(C)C)CC2)O1
InChIInChI=1S/C20H34N4O2/c1-4-18-21-10-14-24(18)11-6-19(25)22-15-17-5-7-20(26-17)8-12-23(13-9-20)16(2)3/h10,14,16-17H,4-9,11-13,15H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyDYIPJEPFZMOXRG-KRWDZBQOSA-N
XLogP2.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
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N-[[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 131892617
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CID 131932994
N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
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N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
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(2R)-2-[3-(2-ethylimidazol-1-yl)propanoylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide (CID 125161054) is 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide is CCc1nccn1CCC(=O)NC[C@@H]1CCC2(CCN(C(C)C)CC2)O1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?
The InChIKey is DYIPJEPFZMOXRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-4-18-21-10-14-24(18)11-6-19(25)22-15-17-5-7-20(26-17)8-12-23(13-9-20)16(2)3/h10,14,16-17H,4-9,11-13,15H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide has a molecular weight of 362.52 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide is sourced from PubChem (CID 125161054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).