dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride

C20H37ClN2O7Si — CID 172552820

IUPACdimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride
SMILESCOc1cc(C(=O)NCCC(CC[NH+](C)C)[Si](OC)(OC)OC)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C20H36N2O7Si.ClH/c1-22(2)12-10-16(30(27-6,28-7)29-8)9-11-21-20(23)15-13-17(24-3)19(26-5)18(14-15)25-4;/h13-14,16H,9-12H2,1-8H3,(H,21,23);1H
InChIKeyFWJJUISIXZSSKF-UHFFFAOYSA-N
MW481.06 g/mol
LogP-2.38
Rot. Bonds14

About dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride

dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride (PubChem CID 172552820) has the molecular formula C20H37ClN2O7Si and a molecular weight of 481.06 g/mol. Its IUPAC name is dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride
PubChem CID172552820
Molecular FormulaC20H37ClN2O7Si
Molecular Weight481.06 g/mol
Exact Mass480.21
IUPAC Namedimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride
SMILESCOc1cc(C(=O)NCCC(CC[NH+](C)C)[Si](OC)(OC)OC)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C20H36N2O7Si.ClH/c1-22(2)12-10-16(30(27-6,28-7)29-8)9-11-21-20(23)15-13-17(24-3)19(26-5)18(14-15)25-4;/h13-14,16H,9-12H2,1-8H3,(H,21,23);1H
InChIKeyFWJJUISIXZSSKF-UHFFFAOYSA-N
XLogP-2.38
TPSA88.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.06
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720007
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763

Frequently Asked Questions

What is the IUPAC name of dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride?
The IUPAC name of dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride (CID 172552820) is dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride.
What is the SMILES notation for dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride?
The canonical SMILES for dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride is COc1cc(C(=O)NCCC(CC[NH+](C)C)[Si](OC)(OC)OC)cc(OC)c1OC.[Cl-].
What is the InChIKey of dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride?
The InChIKey is FWJJUISIXZSSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O7Si.ClH/c1-22(2)12-10-16(30(27-6,28-7)29-8)9-11-21-20(23)15-13-17(24-3)19(26-5)18(14-15)25-4;/h13-14,16H,9-12H2,1-8H3,(H,21,23);1H.
What are the key properties of dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride?
dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride has a molecular weight of 481.06 g/mol, XLogP of -2.38, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride is sourced from PubChem (CID 172552820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).