cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C24H30N2O2 — CID 123724523

IUPACcyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESC=CC1CN(C)CC2(CCN(C(=O)C3=CC=CC=CC=CC=CC=C3)CC2)O1
InChIInChI=1S/C24H30N2O2/c1-3-22-19-25(2)20-24(28-22)15-17-26(18-16-24)23(27)21-13-11-9-7-5-4-6-8-10-12-14-21/h3-14,22H,1,15-20H2,2H3
InChIKeyNFSHLYQMHGKVJM-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.59
Rot. Bonds2

About cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 123724523) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namecyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID123724523
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Namecyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESC=CC1CN(C)CC2(CCN(C(=O)C3=CC=CC=CC=CC=CC=C3)CC2)O1
InChIInChI=1S/C24H30N2O2/c1-3-22-19-25(2)20-24(28-22)15-17-26(18-16-24)23(27)21-13-11-9-7-5-4-6-8-10-12-14-21/h3-14,22H,1,15-20H2,2H3
InChIKeyNFSHLYQMHGKVJM-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 123724523) is cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is C=CC1CN(C)CC2(CCN(C(=O)C3=CC=CC=CC=CC=CC=C3)CC2)O1.
What is the InChIKey of cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is NFSHLYQMHGKVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-22-19-25(2)20-24(28-22)15-17-26(18-16-24)23(27)21-13-11-9-7-5-4-6-8-10-12-14-21/h3-14,22H,1,15-20H2,2H3.
What are the key properties of cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 378.52 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecahexaenyl-(2-ethenyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 123724523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).