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

C23H25ClN4O3 — CID 97396115

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

(5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (PubChem CID 97396115) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

Molecular Properties

• Compound Name: (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
• PubChem CID: 97396115
• Molecular Formula: C23H25ClN4O3
• Molecular Weight: 440.93 g/mol
• Exact Mass: 440.16
• IUPAC Name: (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
• SMILES: Cc1ccc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)Nc4ccc(Cl)cc4)C3)C2)cc1
• InChI: InChI=1S/C23H25ClN4O3/c1-16-3-5-17(6-4-16)14-25-21(29)20-13-23(31-27-20)11-2-12-28(15-23)22(30)26-19-9-7-18(24)8-10-19/h3-10H,2,11-15H2,1H3,(H,25,29)(H,26,30)/t23-/m0/s1
• InChIKey: BSRJEUHWBMDBOY-QHCPKHFHSA-N
• XLogP: 4.11
• TPSA: 83.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.93
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

The IUPAC name of (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) is (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

What is the SMILES notation for (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

The canonical SMILES for (5S)-9-N-(4-chlorophenyl)-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)Nc4ccc(Cl)cc4)C3)C2)cc1.

What is the InChIKey of (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

The InChIKey is BSRJEUHWBMDBOY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-16-3-5-17(6-4-16)14-25-21(29)20-13-23(31-27-20)11-2-12-28(15-23)22(30)26-19-9-7-18(24)8-10-19/h3-10H,2,11-15H2,1H3,(H,25,29)(H,26,30)/t23-/m0/s1.

What are the key properties of (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

(5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is sourced from PubChem (CID 97396115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).