N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide

C25H26ClNO4 — CID 91579459

IUPACN-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(C)c(C3C(=O)OC4(CCCCC4)C3=O)cc2Cl)ccc1C
InChIInChI=1S/C25H26ClNO4/c1-14-7-8-17(12-21(14)27-16(3)28)19-11-15(2)18(13-20(19)26)22-23(29)25(31-24(22)30)9-5-4-6-10-25/h7-8,11-13,22H,4-6,9-10H2,1-3H3,(H,27,28)
InChIKeyVUNHDYXYBWNHNH-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.49
Rot. Bonds3

About N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide

N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide (PubChem CID 91579459) has the molecular formula C25H26ClNO4 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide
PubChem CID91579459
Molecular FormulaC25H26ClNO4
Molecular Weight439.94 g/mol
Exact Mass439.16
IUPAC NameN-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(C)c(C3C(=O)OC4(CCCCC4)C3=O)cc2Cl)ccc1C
InChIInChI=1S/C25H26ClNO4/c1-14-7-8-17(12-21(14)27-16(3)28)19-11-15(2)18(13-20(19)26)22-23(29)25(31-24(22)30)9-5-4-6-10-25/h7-8,11-13,22H,4-6,9-10H2,1-3H3,(H,27,28)
InChIKeyVUNHDYXYBWNHNH-UHFFFAOYSA-N
XLogP5.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-aminophenyl)-5-chloro-2-methylphenyl]-1-oxaspiro[4.5]decane-2,4-dione
CID 90903586
N-[3-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]phenyl]pyridine-3-sulfonamide
CID 91217397
3-[4-(3-aminophenyl)-5-chloro-2-methylphenyl]-4-imino-1-oxaspiro[4.5]decan-2-one
CID 90976968
10-[5-(4-chlorophenyl)-2-methylphenyl]-4,12-dioxadispiro[4.2.48.25]tetradecane-9,11-dione
CID 53357361
3-[5-(4-chlorophenyl)-2-methylphenyl]-1,9-dioxaspiro[4.5]decane-2,4-dione
CID 53357091
3-[4-(4-aminophenyl)-5-chloro-2-methylphenyl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 59159696
3'-(4-bromo-5-chloro-2-methylphenyl)spiro[1,2,3,3a,4,5,7,7a-octahydroindene-6,5'-oxolane]-2',4'-dione
CID 91143295
3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-N-cyclopropylbenzamide
CID 59159723
9-(1H-benzimidazol-2-ylmethyl)-3-[5-chloro-2-methyl-4-(3-methylsulfonylphenyl)phenyl]-1-oxa-9-azaspiro[4.5]decane-2,4-dione
CID 91494752
3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione
CID 90987552
N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide
CID 12783860
8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 68774668

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide (CID 91579459) is N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide is CC(=O)Nc1cc(-c2cc(C)c(C3C(=O)OC4(CCCCC4)C3=O)cc2Cl)ccc1C.
What is the InChIKey of N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide?
The InChIKey is VUNHDYXYBWNHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO4/c1-14-7-8-17(12-21(14)27-16(3)28)19-11-15(2)18(13-20(19)26)22-23(29)25(31-24(22)30)9-5-4-6-10-25/h7-8,11-13,22H,4-6,9-10H2,1-3H3,(H,27,28).
What are the key properties of N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide?
N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide has a molecular weight of 439.94 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 91579459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).