2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C20H29N3O3 — CID 91912618

IUPAC2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)cc1C
InChIInChI=1S/C20H29N3O3/c1-14-5-6-16(11-15(14)2)21-19(25)23-12-17(18(24)22(3)4)20(13-23)7-9-26-10-8-20/h5-6,11,17H,7-10,12-13H2,1-4H3,(H,21,25)
InChIKeyLMAGULMADDRKSC-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.65
Rot. Bonds2

About 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91912618) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91912618
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)cc1C
InChIInChI=1S/C20H29N3O3/c1-14-5-6-16(11-15(14)2)21-19(25)23-12-17(18(24)22(3)4)20(13-23)7-9-26-10-8-20/h5-6,11,17H,7-10,12-13H2,1-4H3,(H,21,25)
InChIKeyLMAGULMADDRKSC-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide with MolForge

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Related Compounds

2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912643
2-N-(2-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912639
2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912598
2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91924744
2-N-(4-ethylphenyl)-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 131645069
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(3aS,6aR)-2-[(3,4-dimethylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073465
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912572
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682807

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91912618) is 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is Cc1ccc(NC(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)cc1C.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is LMAGULMADDRKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-5-6-16(11-15(14)2)21-19(25)23-12-17(18(24)22(3)4)20(13-23)7-9-26-10-8-20/h5-6,11,17H,7-10,12-13H2,1-4H3,(H,21,25).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91912618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).