benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate

C24H33NO6P- — CID 71386400

IUPACbenzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate
SMILESCN(Cc1ccccc1)C(CCOP(=O)([O-])OCc1ccccc1)CC1COC(C)(C)O1
InChIInChI=1S/C24H34NO6P/c1-24(2)28-19-23(31-24)16-22(25(3)17-20-10-6-4-7-11-20)14-15-29-32(26,27)30-18-21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3,(H,26,27)/p-1
InChIKeyOGOKDZCUVXPRKD-UHFFFAOYSA-M
MW462.50 g/mol
LogP4.12
Rot. Bonds12

About benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate

benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate (PubChem CID 71386400) has the molecular formula C24H33NO6P- and a molecular weight of 462.50 g/mol. Its IUPAC name is benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate.

Molecular Properties

Compound Namebenzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate
PubChem CID71386400
Molecular FormulaC24H33NO6P-
Molecular Weight462.50 g/mol
Exact Mass462.21
IUPAC Namebenzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate
SMILESCN(Cc1ccccc1)C(CCOP(=O)([O-])OCc1ccccc1)CC1COC(C)(C)O1
InChIInChI=1S/C24H34NO6P/c1-24(2)28-19-23(31-24)16-22(25(3)17-20-10-6-4-7-11-20)14-15-29-32(26,27)30-18-21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3,(H,26,27)/p-1
InChIKeyOGOKDZCUVXPRKD-UHFFFAOYSA-M
XLogP4.12
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate?
The IUPAC name of benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate (CID 71386400) is benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate.
What is the SMILES notation for benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate?
The canonical SMILES for benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate is CN(Cc1ccccc1)C(CCOP(=O)([O-])OCc1ccccc1)CC1COC(C)(C)O1.
What is the InChIKey of benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate?
The InChIKey is OGOKDZCUVXPRKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H34NO6P/c1-24(2)28-19-23(31-24)16-22(25(3)17-20-10-6-4-7-11-20)14-15-29-32(26,27)30-18-21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3,(H,26,27)/p-1.
What are the key properties of benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate?
benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate has a molecular weight of 462.50 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] phosphate is sourced from PubChem (CID 71386400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).