N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide

C22H38N2O3 — CID 42405719

IUPACN-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
SMILESCC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1
InChIInChI=1S/C22H38N2O3/c1-3-17(2)15-20(25)24-13-11-22(12-14-24)10-9-19(27-22)16-23-21(26)18-7-5-4-6-8-18/h17-19H,3-16H2,1-2H3,(H,23,26)/t17-,19+/m1/s1
InChIKeyWCMRRLNXAISJMO-MJGOQNOKSA-N
MW378.56 g/mol
LogP3.66
Rot. Bonds6

About N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide

N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 42405719) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
PubChem CID42405719
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC NameN-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
SMILESCC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1
InChIInChI=1S/C22H38N2O3/c1-3-17(2)15-20(25)24-13-11-22(12-14-24)10-9-19(27-22)16-23-21(26)18-7-5-4-6-8-18/h17-19H,3-16H2,1-2H3,(H,23,26)/t17-,19+/m1/s1
InChIKeyWCMRRLNXAISJMO-MJGOQNOKSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide (CID 42405719) is N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide is CC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1.
What is the InChIKey of N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is WCMRRLNXAISJMO-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H38N2O3/c1-3-17(2)15-20(25)24-13-11-22(12-14-24)10-9-19(27-22)16-23-21(26)18-7-5-4-6-8-18/h17-19H,3-16H2,1-2H3,(H,23,26)/t17-,19+/m1/s1.
What are the key properties of N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide?
N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 378.56 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 42405719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).