(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide

C24H28N4O4 — CID 97490929

IUPAC(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@]3(CC(C(=O)Nc4ccc(OC)cc4)=NO3)C2)cc1
InChIInChI=1S/C24H28N4O4/c1-3-17-5-7-19(8-6-17)26-23(30)28-14-4-13-24(16-28)15-21(27-32-24)22(29)25-18-9-11-20(31-2)12-10-18/h5-12H,3-4,13-16H2,1-2H3,(H,25,29)(H,26,30)/t24-/m0/s1
InChIKeyPFJRIGKZPJCKLG-DEOSSOPVSA-N
MW436.51 g/mol
LogP4.04
Rot. Bonds5

About (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide

(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (PubChem CID 97490929) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

Molecular Properties

Compound Name(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
PubChem CID97490929
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@]3(CC(C(=O)Nc4ccc(OC)cc4)=NO3)C2)cc1
InChIInChI=1S/C24H28N4O4/c1-3-17-5-7-19(8-6-17)26-23(30)28-14-4-13-24(16-28)15-21(27-32-24)22(29)25-18-9-11-20(31-2)12-10-18/h5-12H,3-4,13-16H2,1-2H3,(H,25,29)(H,26,30)/t24-/m0/s1
InChIKeyPFJRIGKZPJCKLG-DEOSSOPVSA-N
XLogP4.04
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396034
(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490790
9-N-(4-methylphenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134074033
(5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396115
3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593
N-(4-methoxyphenyl)-9-(4-methylphenyl)sulfonyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131648680
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
N-(4-methoxyphenyl)-9-[(3-methylthiophen-2-yl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155877056
(5R)-9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491056
(5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491145
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691424
(5S)-9-N-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490840

Frequently Asked Questions

What is the IUPAC name of (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The IUPAC name of (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (CID 97490929) is (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.
What is the SMILES notation for (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The canonical SMILES for (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is CCc1ccc(NC(=O)N2CCC[C@]3(CC(C(=O)Nc4ccc(OC)cc4)=NO3)C2)cc1.
What is the InChIKey of (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The InChIKey is PFJRIGKZPJCKLG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-17-5-7-19(8-6-17)26-23(30)28-14-4-13-24(16-28)15-21(27-32-24)22(29)25-18-9-11-20(31-2)12-10-18/h5-12H,3-4,13-16H2,1-2H3,(H,25,29)(H,26,30)/t24-/m0/s1.
What are the key properties of (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is sourced from PubChem (CID 97490929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).