N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C23H24ClN3O3 — CID 2138599

IUPACN-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C23H24ClN3O3/c1-30-19-10-8-16(9-11-19)21-22(29)27(23(26-21)12-3-2-4-13-23)15-20(28)25-18-7-5-6-17(24)14-18/h5-11,14H,2-4,12-13,15H2,1H3,(H,25,28)
InChIKeyPOASOVJRTPDDQN-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.28
Rot. Bonds5

About N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 2138599) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID2138599
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C23H24ClN3O3/c1-30-19-10-8-16(9-11-19)21-22(29)27(23(26-21)12-3-2-4-13-23)15-20(28)25-18-7-5-6-17(24)14-18/h5-11,14H,2-4,12-13,15H2,1H3,(H,25,28)
InChIKeyPOASOVJRTPDDQN-UHFFFAOYSA-N
XLogP4.28
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 2138599) is N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is POASOVJRTPDDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-30-19-10-8-16(9-11-19)21-22(29)27(23(26-21)12-3-2-4-13-23)15-20(28)25-18-7-5-6-17(24)14-18/h5-11,14H,2-4,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 425.92 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 2138599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).