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

C22H23ClN4O4 — CID 97396034

IUPAC(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCOc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4ccc(Cl)cc4)C3)C2)cc1
InChIInChI=1S/C22H23ClN4O4/c1-30-18-9-7-16(8-10-18)24-20(28)19-13-22(31-26-19)11-2-12-27(14-22)21(29)25-17-5-3-15(23)4-6-17/h3-10H,2,11-14H2,1H3,(H,24,28)(H,25,29)/t22-/m1/s1
InChIKeyYAXUMNZIIWYVMU-JOCHJYFZSA-N
MW442.90 g/mol
LogP4.13
Rot. Bonds4

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

(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (PubChem CID 97396034) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

Molecular Properties

Compound Name(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
PubChem CID97396034
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCOc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4ccc(Cl)cc4)C3)C2)cc1
InChIInChI=1S/C22H23ClN4O4/c1-30-18-9-7-16(8-10-18)24-20(28)19-13-22(31-26-19)11-2-12-27(14-22)21(29)25-17-5-3-15(23)4-6-17/h3-10H,2,11-14H2,1H3,(H,24,28)(H,25,29)/t22-/m1/s1
InChIKeyYAXUMNZIIWYVMU-JOCHJYFZSA-N
XLogP4.13
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490929
(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
N-(4-methoxyphenyl)-9-(4-methylphenyl)sulfonyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131648680
9-N-(4-methylphenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134074033
(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
N-(4-methoxyphenyl)-9-[(3-methylthiophen-2-yl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155877056
9-N-(4-chlorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155842403
N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075704
N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079607
3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593
9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079601
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691424

Frequently Asked Questions

What is the IUPAC name of (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The IUPAC name of (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (CID 97396034) is (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.
What is the SMILES notation for (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The canonical SMILES for (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4ccc(Cl)cc4)C3)C2)cc1.
What is the InChIKey of (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The InChIKey is YAXUMNZIIWYVMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-30-18-9-7-16(8-10-18)24-20(28)19-13-22(31-26-19)11-2-12-27(14-22)21(29)25-17-5-3-15(23)4-6-17/h3-10H,2,11-14H2,1H3,(H,24,28)(H,25,29)/t22-/m1/s1.
What are the key properties of (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide has a molecular weight of 442.90 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is sourced from PubChem (CID 97396034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).