methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate

C18H21Cl2NO6 — CID 152614616

IUPACmethyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1(NC(=O)COc2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H21Cl2NO6/c1-24-16(23)17(4-6-18(7-5-17)26-8-9-27-18)21-15(22)11-25-12-2-3-13(19)14(20)10-12/h2-3,10H,4-9,11H2,1H3,(H,21,22)
InChIKeyZAFZNLDZMYISRM-UHFFFAOYSA-N
MW418.27 g/mol
LogP2.72
Rot. Bonds5

About methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate

methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 152614616) has the molecular formula C18H21Cl2NO6 and a molecular weight of 418.27 g/mol. Its IUPAC name is methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID152614616
Molecular FormulaC18H21Cl2NO6
Molecular Weight418.27 g/mol
Exact Mass417.07
IUPAC Namemethyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1(NC(=O)COc2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H21Cl2NO6/c1-24-16(23)17(4-6-18(7-5-17)26-8-9-27-18)21-15(22)11-25-12-2-3-13(19)14(20)10-12/h2-3,10H,4-9,11H2,1H3,(H,21,22)
InChIKeyZAFZNLDZMYISRM-UHFFFAOYSA-N
XLogP2.72
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate 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

1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65450765
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542782
2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676223
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
methyl 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3-methylbutanoate
CID 43423967
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43360889
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643

Frequently Asked Questions

What is the IUPAC name of methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 152614616) is methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate is COC(=O)C1(NC(=O)COc2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2.
What is the InChIKey of methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZAFZNLDZMYISRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO6/c1-24-16(23)17(4-6-18(7-5-17)26-8-9-27-18)21-15(22)11-25-12-2-3-13(19)14(20)10-12/h2-3,10H,4-9,11H2,1H3,(H,21,22).
What are the key properties of methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 418.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 152614616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).