N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide

C29H63N3O10Si2 — CID 58720478

IUPACN-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide
SMILESCCO[Si](CCCC(CCC[Si](OCC)(OCC)OCC)(C(=O)NC)C(=O)NCCCN(CCO)CCO)(OCC)OCC
InChIInChI=1S/C29H63N3O10Si2/c1-8-37-43(38-9-2,39-10-3)25-14-17-29(27(35)30-7,18-15-26-44(40-11-4,41-12-5)42-13-6)28(36)31-19-16-20-32(21-23-33)22-24-34/h33-34H,8-26H2,1-7H3,(H,30,35)(H,31,36)
InChIKeyGSAPYPACCZRFRS-UHFFFAOYSA-N
MW670.01 g/mol
LogP2.17
Rot. Bonds30

About N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide

N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide (PubChem CID 58720478) has the molecular formula C29H63N3O10Si2 and a molecular weight of 670.01 g/mol. Its IUPAC name is N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide.

Molecular Properties

Compound NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide
PubChem CID58720478
Molecular FormulaC29H63N3O10Si2
Molecular Weight670.01 g/mol
Exact Mass669.41
IUPAC NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide
SMILESCCO[Si](CCCC(CCC[Si](OCC)(OCC)OCC)(C(=O)NC)C(=O)NCCCN(CCO)CCO)(OCC)OCC
InChIInChI=1S/C29H63N3O10Si2/c1-8-37-43(38-9-2,39-10-3)25-14-17-29(27(35)30-7,18-15-26-44(40-11-4,41-12-5)42-13-6)28(36)31-19-16-20-32(21-23-33)22-24-34/h33-34H,8-26H2,1-7H3,(H,30,35)(H,31,36)
InChIKeyGSAPYPACCZRFRS-UHFFFAOYSA-N
XLogP2.17
TPSA157.28 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds30
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.01
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol
CID 159716952
2-[2-hydroxyethyl-[(3-triethoxysilylpropylamino)methyl]amino]ethanol
CID 59782810
2-[bis(3-trimethoxysilylpropyl)amino]ethanol;3-[diethoxy(methoxy)silyl]-N-methyl-N-(3-triethoxysilylpropyl)propan-1-amine;2-[3-[diethoxy(methoxy)silyl]propyl-(3-triethoxysilylpropyl)amino]ethanol;N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 165038750
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide?
The IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide (CID 58720478) is N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide.
What is the SMILES notation for N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide?
The canonical SMILES for N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide is CCO[Si](CCCC(CCC[Si](OCC)(OCC)OCC)(C(=O)NC)C(=O)NCCCN(CCO)CCO)(OCC)OCC.
What is the InChIKey of N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide?
The InChIKey is GSAPYPACCZRFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63N3O10Si2/c1-8-37-43(38-9-2,39-10-3)25-14-17-29(27(35)30-7,18-15-26-44(40-11-4,41-12-5)42-13-6)28(36)31-19-16-20-32(21-23-33)22-24-34/h33-34H,8-26H2,1-7H3,(H,30,35)(H,31,36).
What are the key properties of N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide?
N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide has a molecular weight of 670.01 g/mol, XLogP of 2.17, 30 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-methyl-2,2-bis(3-triethoxysilylpropyl)propanediamide is sourced from PubChem (CID 58720478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).