2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C17H21Cl2N3O3 — CID 91912572

IUPAC2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCNC(=O)C1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2
InChIInChI=1S/C17H21Cl2N3O3/c1-20-15(23)12-9-22(10-17(12)4-6-25-7-5-17)16(24)21-14-8-11(18)2-3-13(14)19/h2-3,8,12H,4-7,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyCFHNGQZSOIIZPB-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.00
Rot. Bonds2

About 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91912572) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91912572
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC Name2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCNC(=O)C1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2
InChIInChI=1S/C17H21Cl2N3O3/c1-20-15(23)12-9-22(10-17(12)4-6-25-7-5-17)16(24)21-14-8-11(18)2-3-13(14)19/h2-3,8,12H,4-7,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyCFHNGQZSOIIZPB-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91924744
2-N-(2-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912639
N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924734
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138810347
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
2-N-(4-ethylphenyl)-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 131645069
2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912618
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783
2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912643

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91912572) is 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CNC(=O)C1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2.
What is the InChIKey of 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is CFHNGQZSOIIZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c1-20-15(23)12-9-22(10-17(12)4-6-25-7-5-17)16(24)21-14-8-11(18)2-3-13(14)19/h2-3,8,12H,4-7,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 386.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91912572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).