N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

C25H34N2O3 — CID 45186392

IUPACN-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(CN2CCC3(CCC(CNC(=O)c4ccco4)O3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-19(2)16-20-5-7-21(8-6-20)18-27-13-11-25(12-14-27)10-9-22(30-25)17-26-24(28)23-4-3-15-29-23/h3-8,15,19,22H,9-14,16-18H2,1-2H3,(H,26,28)
InChIKeyUXPFKNIRSLWXQB-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.42
Rot. Bonds7

About N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (PubChem CID 45186392) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
PubChem CID45186392
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(CN2CCC3(CCC(CNC(=O)c4ccco4)O3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-19(2)16-20-5-7-21(8-6-20)18-27-13-11-25(12-14-27)10-9-22(30-25)17-26-24(28)23-4-3-15-29-23/h3-8,15,19,22H,9-14,16-18H2,1-2H3,(H,26,28)
InChIKeyUXPFKNIRSLWXQB-UHFFFAOYSA-N
XLogP4.42
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[8-[(4-methoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45205082
N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45198123
N-[[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 118755620
N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 74610367
N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 171907297
N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 164633355
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794
(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42343316
formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 154914367
N-[[8-[[4-(dimethylamino)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45238728
N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide
CID 124795577
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019

Frequently Asked Questions

What is the IUPAC name of N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (CID 45186392) is N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is CC(C)Cc1ccc(CN2CCC3(CCC(CNC(=O)c4ccco4)O3)CC2)cc1.
What is the InChIKey of N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is UXPFKNIRSLWXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19(2)16-20-5-7-21(8-6-20)18-27-13-11-25(12-14-27)10-9-22(30-25)17-26-24(28)23-4-3-15-29-23/h3-8,15,19,22H,9-14,16-18H2,1-2H3,(H,26,28).
What are the key properties of N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 45186392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).