2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate

C60H112N3O23PSi3 — CID 123704963

IUPAC2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
SMILESCCCOP(=O)(CCOCCOCCO[Si](OCC)(OCC)OCC)OCCC.CCOC(=O)Cc1cccc(CC(=O)CCCNCCC[Si](OC)(OC)OC)c1.CCO[Si](CCCNC(=O)OCCOCCOC(=O)Nc1ccccc1)(OCC)OCC
InChIInChI=1S/C21H36N2O8Si.C21H35NO6Si.C18H41O9PSi/c1-4-29-32(30-5-2,31-6-3)18-10-13-22-20(24)27-16-14-26-15-17-28-21(25)23-19-11-8-7-9-12-19;1-5-28-21(24)17-19-10-6-9-18(15-19)16-20(23)11-7-12-22-13-8-14-29(25-2,26-3)27-4;1-6-11-22-28(19,23-12-7-2)18-17-21-14-13-20-15-16-27-29(24-8-3,25-9-4)26-10-5/h7-9,11-12H,4-6,10,13-18H2,1-3H3,(H,22,24)(H,23,25);6,9-10,15,22H,5,7-8,11-14,16-17H2,1-4H3;6-18H2,1-5H3
InChIKeyYMKGCZQCHKSFPW-UHFFFAOYSA-N
MW1358.79 g/mol
LogP9.59
Rot. Bonds55

About 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate

2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate (PubChem CID 123704963) has the molecular formula C60H112N3O23PSi3 and a molecular weight of 1358.79 g/mol. Its IUPAC name is 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
PubChem CID123704963
Molecular FormulaC60H112N3O23PSi3
Molecular Weight1358.79 g/mol
Exact Mass1357.67
IUPAC Name2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
SMILESCCCOP(=O)(CCOCCOCCO[Si](OCC)(OCC)OCC)OCCC.CCOC(=O)Cc1cccc(CC(=O)CCCNCCC[Si](OC)(OC)OC)c1.CCO[Si](CCCNC(=O)OCCOCCOC(=O)Nc1ccccc1)(OCC)OCC
InChIInChI=1S/C21H36N2O8Si.C21H35NO6Si.C18H41O9PSi/c1-4-29-32(30-5-2,31-6-3)18-10-13-22-20(24)27-16-14-26-15-17-28-21(25)23-19-11-8-7-9-12-19;1-5-28-21(24)17-19-10-6-9-18(15-19)16-20(23)11-7-12-22-13-8-14-29(25-2,26-3)27-4;1-6-11-22-28(19,23-12-7-2)18-17-21-14-13-20-15-16-27-29(24-8-3,25-9-4)26-10-5/h7-9,11-12H,4-6,10,13-18H2,1-3H3,(H,22,24)(H,23,25);6,9-10,15,22H,5,7-8,11-14,16-17H2,1-4H3;6-18H2,1-5H3
InChIKeyYMKGCZQCHKSFPW-UHFFFAOYSA-N
XLogP9.59
TPSA287.58 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds55
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001358.79
LogP ≤ 59.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate with MolForge

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Related Compounds

ethyl 3-[2-oxo-2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl]benzoate
CID 58122245
2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate
CID 158664121
3-[3-(N-[3-[3-(3-triethoxysilylpropylcarbamoyloxy)propyl]phenyl]anilino)phenyl]propyl N-(3-triethoxysilylpropyl)carbamate
CID 21136797
2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 88978473
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102265538
2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-phenylethyl 4-(ethoxycarbonylamino)butanoate
CID 155528257
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
N-phenyl-4-triethoxysilylbutanamide
CID 150591248
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The IUPAC name of 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate (CID 123704963) is 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate is CCCOP(=O)(CCOCCOCCO[Si](OCC)(OCC)OCC)OCCC.CCOC(=O)Cc1cccc(CC(=O)CCCNCCC[Si](OC)(OC)OC)c1.CCO[Si](CCCNC(=O)OCCOCCOC(=O)Nc1ccccc1)(OCC)OCC.
What is the InChIKey of 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The InChIKey is YMKGCZQCHKSFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O8Si.C21H35NO6Si.C18H41O9PSi/c1-4-29-32(30-5-2,31-6-3)18-10-13-22-20(24)27-16-14-26-15-17-28-21(25)23-19-11-8-7-9-12-19;1-5-28-21(24)17-19-10-6-9-18(15-19)16-20(23)11-7-12-22-13-8-14-29(25-2,26-3)27-4;1-6-11-22-28(19,23-12-7-2)18-17-21-14-13-20-15-16-27-29(24-8-3,25-9-4)26-10-5/h7-9,11-12H,4-6,10,13-18H2,1-3H3,(H,22,24)(H,23,25);6,9-10,15,22H,5,7-8,11-14,16-17H2,1-4H3;6-18H2,1-5H3.
What are the key properties of 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate has a molecular weight of 1358.79 g/mol, XLogP of 9.59, 55 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-dipropoxyphosphorylethoxy)ethoxy]ethyl triethyl silicate;ethyl 2-[3-[2-oxo-5-(3-trimethoxysilylpropylamino)pentyl]phenyl]acetate;2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate is sourced from PubChem (CID 123704963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).