CID 20789577

C14H28B2N3O5P — CID 20789577

IUPAC—
SMILES[B]C1CN(C)CC(COP(=O)(N(C)C)N2CC([B])OC(COC)C2)O1
InChIInChI=1S/C14H28B2N3O5P/c1-17(2)25(20,19-6-12(9-21-4)24-14(16)8-19)22-10-11-5-18(3)7-13(15)23-11/h11-14H,5-10H2,1-4H3
InChIKeyWMEJGOWJPPLQBJ-UHFFFAOYSA-N
MW370.99 g/mol
LogP-0.66
Rot. Bonds7

About CID 20789577

CID 20789577 (PubChem CID 20789577) has the molecular formula C14H28B2N3O5P and a molecular weight of 370.99 g/mol.

Molecular Properties

Compound NameCID 20789577
PubChem CID20789577
Molecular FormulaC14H28B2N3O5P
Molecular Weight370.99 g/mol
Exact Mass371.20
IUPAC Name—
SMILES[B]C1CN(C)CC(COP(=O)(N(C)C)N2CC([B])OC(COC)C2)O1
InChIInChI=1S/C14H28B2N3O5P/c1-17(2)25(20,19-6-12(9-21-4)24-14(16)8-19)22-10-11-5-18(3)7-13(15)23-11/h11-14H,5-10H2,1-4H3
InChIKeyWMEJGOWJPPLQBJ-UHFFFAOYSA-N
XLogP-0.66
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.99
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Isopropyl dimorpholinophosphinate
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2-[[(2-Ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine
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N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 59042019
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CID 60052999
CID 60052999
N-[methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 68354872
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CID 88530029
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CID 88562428

Frequently Asked Questions

What is the IUPAC name of CID 20789577?
The IUPAC name of CID 20789577 (CID 20789577) is not available.
What is the SMILES notation for CID 20789577?
The canonical SMILES for CID 20789577 is [B]C1CN(C)CC(COP(=O)(N(C)C)N2CC([B])OC(COC)C2)O1.
What is the InChIKey of CID 20789577?
The InChIKey is WMEJGOWJPPLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28B2N3O5P/c1-17(2)25(20,19-6-12(9-21-4)24-14(16)8-19)22-10-11-5-18(3)7-13(15)23-11/h11-14H,5-10H2,1-4H3.
What are the key properties of CID 20789577?
CID 20789577 has a molecular weight of 370.99 g/mol, XLogP of -0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20789577 is sourced from PubChem (CID 20789577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).