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

C23H25FN4O3 — CID 97491145

IUPAC(5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1
InChIInChI=1S/C23H25FN4O3/c1-16-6-8-17(9-7-16)14-25-21(29)20-13-23(31-27-20)10-3-11-28(15-23)22(30)26-19-5-2-4-18(24)12-19/h2,4-9,12H,3,10-11,13-15H2,1H3,(H,25,29)(H,26,30)/t23-/m1/s1
InChIKeyWZPJQKMICCFJIY-HSZRJFAPSA-N
MW424.48 g/mol
LogP3.59
Rot. Bonds4

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

(5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (PubChem CID 97491145) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

Molecular Properties

Compound Name(5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
PubChem CID97491145
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name(5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1
InChIInChI=1S/C23H25FN4O3/c1-16-6-8-17(9-7-16)14-25-21(29)20-13-23(31-27-20)10-3-11-28(15-23)22(30)26-19-5-2-4-18(24)12-19/h2,4-9,12H,3,10-11,13-15H2,1H3,(H,25,29)(H,26,30)/t23-/m1/s1
InChIKeyWZPJQKMICCFJIY-HSZRJFAPSA-N
XLogP3.59
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593
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-(3-fluorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490875
(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
(5R)-9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491056
9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155838823
(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
(5R)-9-(2-cyclopropylacetyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97396128
(5S)-N-[(4-methylphenyl)methyl]-9-(3-methylthiophene-2-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97491136
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
9-(3-fluorobenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131658547
9-[2-(4-methylphenyl)acetyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131651426

Frequently Asked Questions

What is the IUPAC name of (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The IUPAC name of (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) is (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.
What is the SMILES notation for (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The canonical SMILES for (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is Cc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1.
What is the InChIKey of (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The InChIKey is WZPJQKMICCFJIY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-16-6-8-17(9-7-16)14-25-21(29)20-13-23(31-27-20)10-3-11-28(15-23)22(30)26-19-5-2-4-18(24)12-19/h2,4-9,12H,3,10-11,13-15H2,1H3,(H,25,29)(H,26,30)/t23-/m1/s1.
What are the key properties of (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
(5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is sourced from PubChem (CID 97491145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).