N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

C23H27ClN2O3 — CID 74610367

IUPACN-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(CC(Cl)=Cc3ccccc3)CC2)O1)c1ccco1
InChIInChI=1S/C23H27ClN2O3/c24-19(15-18-5-2-1-3-6-18)17-26-12-10-23(11-13-26)9-8-20(29-23)16-25-22(27)21-7-4-14-28-21/h1-7,14-15,20H,8-13,16-17H2,(H,25,27)
InChIKeyJQGXUIWSOJQTQM-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.30
Rot. Bonds6

About N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (PubChem CID 74610367) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
PubChem CID74610367
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(CC(Cl)=Cc3ccccc3)CC2)O1)c1ccco1
InChIInChI=1S/C23H27ClN2O3/c24-19(15-18-5-2-1-3-6-18)17-26-12-10-23(11-13-26)9-8-20(29-23)16-25-22(27)21-7-4-14-28-21/h1-7,14-15,20H,8-13,16-17H2,(H,25,27)
InChIKeyJQGXUIWSOJQTQM-UHFFFAOYSA-N
XLogP4.30
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 118755620
N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45186392
N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45198123
N-[[8-[(4-methoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45205082
2-methyl-N-[[(2S)-8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 42247929
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126463646
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-[(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
(Z)-2-fluoro-3-phenyl-N-[[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
CID 126462590
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
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101

Frequently Asked Questions

What is the IUPAC name of N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (CID 74610367) is N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is O=C(NCC1CCC2(CCN(CC(Cl)=Cc3ccccc3)CC2)O1)c1ccco1.
What is the InChIKey of N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is JQGXUIWSOJQTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c24-19(15-18-5-2-1-3-6-18)17-26-12-10-23(11-13-26)9-8-20(29-23)16-25-22(27)21-7-4-14-28-21/h1-7,14-15,20H,8-13,16-17H2,(H,25,27).
What are the key properties of N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 414.93 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 74610367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).