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

C24H34NO6P — CID 71386401

IUPACbenzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen 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)
InChIKeyOGOKDZCUVXPRKD-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.75
Rot. Bonds12

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

benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate (PubChem CID 71386401) has the molecular formula C24H34NO6P and a molecular weight of 463.51 g/mol. Its IUPAC name is benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate.

Molecular Properties

Compound Namebenzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate
PubChem CID71386401
Molecular FormulaC24H34NO6P
Molecular Weight463.51 g/mol
Exact Mass463.21
IUPAC Namebenzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen 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)
InChIKeyOGOKDZCUVXPRKD-UHFFFAOYSA-N
XLogP4.75
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate?
The IUPAC name of benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate (CID 71386401) is benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate.
What is the SMILES notation for benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate?
The canonical SMILES for benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen 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] hydrogen phosphate?
The InChIKey is OGOKDZCUVXPRKD-UHFFFAOYSA-N. 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).
What are the key properties of benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate?
benzyl [3-[benzyl(methyl)amino]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl] hydrogen phosphate has a molecular weight of 463.51 g/mol, XLogP of 4.75, 12 rotatable bonds, 1 hydrogen bond donors, and 6 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] hydrogen phosphate is sourced from PubChem (CID 71386401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).