2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C20H29N3O3 — CID 118741042

IUPAC2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)NCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C20H29N3O3/c1-15(2)22-18(24)17-13-23(14-20(17)8-10-26-11-9-20)19(25)21-12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNERSGMLTTAZRCT-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.15
Rot. Bonds4

About 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 118741042) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID118741042
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)NCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C20H29N3O3/c1-15(2)22-18(24)17-13-23(14-20(17)8-10-26-11-9-20)19(25)21-12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNERSGMLTTAZRCT-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide with MolForge

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Related Compounds

1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
CID 70686704
N2-[(4-Fluorophenyl)methyl]-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91924909
N-(3-fluorobenzyl)-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 72847806
N-cyclopropyl-N-(3-fluorobenzyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 87054508
N-(4-fluorobenzyl)-4-(piperidinocarbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054527
N-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91910495
N2-(3-Fluoro-4-methylphenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912636
N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912658
N-cyclohexyl-2-(3-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912664
N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912665
N-cyclohexyl-2-(2,5-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912671
N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912687

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 118741042) is 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CC(C)NC(=O)C1CN(C(=O)NCc2ccccc2)CC12CCOCC2.
What is the InChIKey of 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is NERSGMLTTAZRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)22-18(24)17-13-23(14-20(17)8-10-26-11-9-20)19(25)21-12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 118741042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).