benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate

C19H32NO6P — CID 23271914

IUPACbenzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate
SMILESCC(C)NCCCOP(=O)(OCc1ccccc1)OCC1COC(C)(C)O1
InChIInChI=1S/C19H32NO6P/c1-16(2)20-11-8-12-23-27(21,24-13-17-9-6-5-7-10-17)25-15-18-14-22-19(3,4)26-18/h5-7,9-10,16,18,20H,8,11-15H2,1-4H3
InChIKeyGSODHUGSSBHESO-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.88
Rot. Bonds12

About benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate

benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate (PubChem CID 23271914) has the molecular formula C19H32NO6P and a molecular weight of 401.44 g/mol. Its IUPAC name is benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate.

Molecular Properties

Compound Namebenzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate
PubChem CID23271914
Molecular FormulaC19H32NO6P
Molecular Weight401.44 g/mol
Exact Mass401.20
IUPAC Namebenzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate
SMILESCC(C)NCCCOP(=O)(OCc1ccccc1)OCC1COC(C)(C)O1
InChIInChI=1S/C19H32NO6P/c1-16(2)20-11-8-12-23-27(21,24-13-17-9-6-5-7-10-17)25-15-18-14-22-19(3,4)26-18/h5-7,9-10,16,18,20H,8,11-15H2,1-4H3
InChIKeyGSODHUGSSBHESO-UHFFFAOYSA-N
XLogP3.88
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 57874544
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl [2-phenylmethoxy-3-(trimethylazaniumyl)propyl] phosphate
CID 23265513
Benzyl 3-(benzylamino)propyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl phosphate
CID 23266109
N-(3-Benzyloxyoctyl)-4,4-ethylenedioxycyclopent-2-enamine
CID 15565551
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 16116503
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-phenylmethoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 57874563
8-[(2S)-3-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]oxy-2-octoxypropoxy]octan-1-amine
CID 10325671
[3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium
CID 23265514
Benzyl [4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-(propan-2-ylamino)butyl] phosphate
CID 71395721
Benzyl [4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-(propan-2-ylamino)butyl] hydrogen phosphate
CID 71395722
Benzyl [4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-(propan-2-ylamino)butyl] phosphite
CID 71395725
Benzyl [4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-(propan-2-ylamino)butyl] hydrogen phosphite
CID 71395726

Frequently Asked Questions

What is the IUPAC name of benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate?
The IUPAC name of benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate (CID 23271914) is benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate.
What is the SMILES notation for benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate?
The canonical SMILES for benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate is CC(C)NCCCOP(=O)(OCc1ccccc1)OCC1COC(C)(C)O1.
What is the InChIKey of benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate?
The InChIKey is GSODHUGSSBHESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO6P/c1-16(2)20-11-8-12-23-27(21,24-13-17-9-6-5-7-10-17)25-15-18-14-22-19(3,4)26-18/h5-7,9-10,16,18,20H,8,11-15H2,1-4H3.
What are the key properties of benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate?
benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate has a molecular weight of 401.44 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(propan-2-ylamino)propyl phosphate is sourced from PubChem (CID 23271914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).