N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide

C14H24N2O14P4 — CID 164745959

IUPACN,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide
SMILESO=C(C(=O)N(CP1(=O)OCCO1)CP1(=O)OCCO1)N(CP1(=O)OCCO1)CP1(=O)OCCO1
InChIInChI=1S/C14H24N2O14P4/c17-13(15(9-31(19)23-1-2-24-31)10-32(20)25-3-4-26-32)14(18)16(11-33(21)27-5-6-28-33)12-34(22)29-7-8-30-34/h1-12H2
InChIKeyHTADALNTSLSPLA-UHFFFAOYSA-N
MW568.24 g/mol
LogP1.43
Rot. Bonds8

About N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide

N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide (PubChem CID 164745959) has the molecular formula C14H24N2O14P4 and a molecular weight of 568.24 g/mol. Its IUPAC name is N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide
PubChem CID164745959
Molecular FormulaC14H24N2O14P4
Molecular Weight568.24 g/mol
Exact Mass568.02
IUPAC NameN,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide
SMILESO=C(C(=O)N(CP1(=O)OCCO1)CP1(=O)OCCO1)N(CP1(=O)OCCO1)CP1(=O)OCCO1
InChIInChI=1S/C14H24N2O14P4/c17-13(15(9-31(19)23-1-2-24-31)10-32(20)25-3-4-26-32)14(18)16(11-33(21)27-5-6-28-33)12-34(22)29-7-8-30-34/h1-12H2
InChIKeyHTADALNTSLSPLA-UHFFFAOYSA-N
XLogP1.43
TPSA182.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide?
The IUPAC name of N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide (CID 164745959) is N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide.
What is the SMILES notation for N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide?
The canonical SMILES for N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide is O=C(C(=O)N(CP1(=O)OCCO1)CP1(=O)OCCO1)N(CP1(=O)OCCO1)CP1(=O)OCCO1.
What is the InChIKey of N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide?
The InChIKey is HTADALNTSLSPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O14P4/c17-13(15(9-31(19)23-1-2-24-31)10-32(20)25-3-4-26-32)14(18)16(11-33(21)27-5-6-28-33)12-34(22)29-7-8-30-34/h1-12H2.
What are the key properties of N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide?
N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide has a molecular weight of 568.24 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide is sourced from PubChem (CID 164745959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).