ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate

C18H37NO5Si — CID 140847908

IUPACethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate
SMILESCCOC(=O)CCN(C[Si](OCC)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C18H37NO5Si/c1-5-21-18(20)14-15-19(17-12-10-9-11-13-17)16-25(22-6-2,23-7-3)24-8-4/h17H,5-16H2,1-4H3
InChIKeyTYWISVFFZIOKSZ-UHFFFAOYSA-N
MW375.58 g/mol
LogP3.16
Rot. Bonds13

About ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate

ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate (PubChem CID 140847908) has the molecular formula C18H37NO5Si and a molecular weight of 375.58 g/mol. Its IUPAC name is ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate
PubChem CID140847908
Molecular FormulaC18H37NO5Si
Molecular Weight375.58 g/mol
Exact Mass375.24
IUPAC Nameethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate
SMILESCCOC(=O)CCN(C[Si](OCC)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C18H37NO5Si/c1-5-21-18(20)14-15-19(17-12-10-9-11-13-17)16-25(22-6-2,23-7-3)24-8-4/h17H,5-16H2,1-4H3
InChIKeyTYWISVFFZIOKSZ-UHFFFAOYSA-N
XLogP3.16
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate
CID 141002152
methyl 3-[2-[bis[2-[cyclododecyl-(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl-cyclododecylamino]propanoate
CID 15664430
hydrazinyl 3-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66337127
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate
CID 84755502
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
CID 42698446
ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
CID 102676800
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate?
The IUPAC name of ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate (CID 140847908) is ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate?
The canonical SMILES for ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate is CCOC(=O)CCN(C[Si](OCC)(OCC)OCC)C1CCCCC1.
What is the InChIKey of ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate?
The InChIKey is TYWISVFFZIOKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO5Si/c1-5-21-18(20)14-15-19(17-12-10-9-11-13-17)16-25(22-6-2,23-7-3)24-8-4/h17H,5-16H2,1-4H3.
What are the key properties of ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate?
ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate has a molecular weight of 375.58 g/mol, XLogP of 3.16, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate is sourced from PubChem (CID 140847908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).