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

C19H27N3O3 — CID 91924744

IUPAC2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCNC(=O)C1CN(C(=O)Nc2cc(C)ccc2C)CC12CCOCC2
InChIInChI=1S/C19H27N3O3/c1-13-4-5-14(2)16(10-13)21-18(24)22-11-15(17(23)20-3)19(12-22)6-8-25-9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyONBOWBAGPJTXGF-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.31
Rot. Bonds2

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

2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91924744) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91924744
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCNC(=O)C1CN(C(=O)Nc2cc(C)ccc2C)CC12CCOCC2
InChIInChI=1S/C19H27N3O3/c1-13-4-5-14(2)16(10-13)21-18(24)22-11-15(17(23)20-3)19(12-22)6-8-25-9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyONBOWBAGPJTXGF-UHFFFAOYSA-N
XLogP2.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912572
N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924734
2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912618
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
(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 95298396
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97399848
2-N-(4-ethylphenyl)-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 131645069
2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077627
2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912643
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91924744) is 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CNC(=O)C1CN(C(=O)Nc2cc(C)ccc2C)CC12CCOCC2.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is ONBOWBAGPJTXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-4-5-14(2)16(10-13)21-18(24)22-11-15(17(23)20-3)19(12-22)6-8-25-9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-(2,5-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.31, 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-dimethylphenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91924744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).