2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]

C19H21N2O3P — CID 23413132

IUPAC2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]
SMILESCOP12(Oc3c(c4ccccc4c4ccccc34)O1)N(C)CCN2C
InChIInChI=1S/C19H21N2O3P/c1-20-12-13-21(2)25(20,22-3)23-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19(18)24-25/h4-11H,12-13H2,1-3H3
InChIKeyJRSRKTFQEWYOHV-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.42
Rot. Bonds1

About 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]

2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene] (PubChem CID 23413132) has the molecular formula C19H21N2O3P and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene].

Molecular Properties

Compound Name2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]
PubChem CID23413132
Molecular FormulaC19H21N2O3P
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]
SMILESCOP12(Oc3c(c4ccccc4c4ccccc34)O1)N(C)CCN2C
InChIInChI=1S/C19H21N2O3P/c1-20-12-13-21(2)25(20,22-3)23-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19(18)24-25/h4-11H,12-13H2,1-3H3
InChIKeyJRSRKTFQEWYOHV-UHFFFAOYSA-N
XLogP4.42
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]?
The IUPAC name of 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene] (CID 23413132) is 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene].
What is the SMILES notation for 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]?
The canonical SMILES for 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene] is COP12(Oc3c(c4ccccc4c4ccccc34)O1)N(C)CCN2C.
What is the InChIKey of 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]?
The InChIKey is JRSRKTFQEWYOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O3P/c1-20-12-13-21(2)25(20,22-3)23-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19(18)24-25/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]?
2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene] has a molecular weight of 356.36 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene] is sourced from PubChem (CID 23413132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).