N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide

C24H34N2O3 — CID 128730546

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
SMILESO=C(NCC1CCC2(CCCCC2)O1)N1CC2(CCOCC2)C1c1ccccc1
InChIInChI=1S/C24H34N2O3/c27-22(25-17-20-9-12-24(29-20)10-5-2-6-11-24)26-18-23(13-15-28-16-14-23)21(26)19-7-3-1-4-8-19/h1,3-4,7-8,20-21H,2,5-6,9-18H2,(H,25,27)
InChIKeyINRISTDEXMBWAN-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.43
Rot. Bonds3

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 128730546) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID128730546
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
SMILESO=C(NCC1CCC2(CCCCC2)O1)N1CC2(CCOCC2)C1c1ccccc1
InChIInChI=1S/C24H34N2O3/c27-22(25-17-20-9-12-24(29-20)10-5-2-6-11-24)26-18-23(13-15-28-16-14-23)21(26)19-7-3-1-4-8-19/h1,3-4,7-8,20-21H,2,5-6,9-18H2,(H,25,27)
InChIKeyINRISTDEXMBWAN-UHFFFAOYSA-N
XLogP4.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
CID 122021796
3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one
CID 102898916
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-propan-2-ylfuran-2-carboxamide
CID 138995548
4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide
CID 167832821
N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99795460
(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 125420218
5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile
CID 128719087
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid
CID 102896511
4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide
CID 139008315
N-[(4-methylphenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896721
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide (CID 128730546) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide is O=C(NCC1CCC2(CCCCC2)O1)N1CC2(CCOCC2)C1c1ccccc1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is INRISTDEXMBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c27-22(25-17-20-9-12-24(29-20)10-5-2-6-11-24)26-18-23(13-15-28-16-14-23)21(26)19-7-3-1-4-8-19/h1,3-4,7-8,20-21H,2,5-6,9-18H2,(H,25,27).
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 128730546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).