2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate

C17H35N2O5P — CID 91587230

IUPAC2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate
SMILESCCC1OC(C)CC1OP(OCCOC(=O)NC)N(C(C)C)C(C)C
InChIInChI=1S/C17H35N2O5P/c1-8-15-16(11-14(6)23-15)24-25(19(12(2)3)13(4)5)22-10-9-21-17(20)18-7/h12-16H,8-11H2,1-7H3,(H,18,20)
InChIKeyTWAYDXDNTZPCGY-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.68
Rot. Bonds10

About 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate

2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate (PubChem CID 91587230) has the molecular formula C17H35N2O5P and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate
PubChem CID91587230
Molecular FormulaC17H35N2O5P
Molecular Weight378.45 g/mol
Exact Mass378.23
IUPAC Name2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate
SMILESCCC1OC(C)CC1OP(OCCOC(=O)NC)N(C(C)C)C(C)C
InChIInChI=1S/C17H35N2O5P/c1-8-15-16(11-14(6)23-15)24-25(19(12(2)3)13(4)5)22-10-9-21-17(20)18-7/h12-16H,8-11H2,1-7H3,(H,18,20)
InChIKeyTWAYDXDNTZPCGY-UHFFFAOYSA-N
XLogP3.68
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate 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

(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 158348067
CID 160962043
CID 160962043
S-[2-[2-[[di(propan-2-yl)amino]-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxyethoxy]ethyl] propanethioate
CID 91397501
6-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-N-methylhexan-1-amine;N-[2-isocyanoethoxy(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;N-[2-isocyanoethoxy-[(3-methoxy-5-methyloxolan-2-yl)methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 159219369
(2S,5S)-2-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-N,5-dimethyloxolan-3-amine;methane
CID 158424911
dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane
CID 58528140
3-[[di(propan-2-yl)amino]-[(3R,4R)-2-ethyl-4-hydroxy-5-methyloxolan-3-yl]oxyphosphanyl]oxypropanenitrile
CID 58590317
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
N-[9-[4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethyloxolan-2-yl]purin-6-yl]benzamide
CID 58312284
ethyl 2-[1-[5-(acetyloxymethyl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-5,6-dioxo-4H-triazin-4-yl]-2-oxoacetate
CID 162466626
[3,4-diacetyloxy-6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-methyloxan-2-yl]methyl acetate
CID 58664507

Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate?
The IUPAC name of 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate (CID 91587230) is 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate?
The canonical SMILES for 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate is CCC1OC(C)CC1OP(OCCOC(=O)NC)N(C(C)C)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate?
The InChIKey is TWAYDXDNTZPCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N2O5P/c1-8-15-16(11-14(6)23-15)24-25(19(12(2)3)13(4)5)22-10-9-21-17(20)18-7/h12-16H,8-11H2,1-7H3,(H,18,20).
What are the key properties of 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate?
2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate has a molecular weight of 378.45 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate is sourced from PubChem (CID 91587230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).