2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate

C24H34N2O5Si — CID 59439700

IUPAC2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCNC(=O)NCCC[Si](C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H34N2O5Si/c1-4-20(2)23(27)29-18-17-26-24(28)25-16-11-19-32(3,30-21-12-7-5-8-13-21)31-22-14-9-6-10-15-22/h5-10,12-15,20H,4,11,16-19H2,1-3H3,(H2,25,26,28)
InChIKeyBXTKFAZWGSOOIO-UHFFFAOYSA-N
MW458.63 g/mol
LogP4.49
Rot. Bonds13

About 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate

2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate (PubChem CID 59439700) has the molecular formula C24H34N2O5Si and a molecular weight of 458.63 g/mol. Its IUPAC name is 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate
PubChem CID59439700
Molecular FormulaC24H34N2O5Si
Molecular Weight458.63 g/mol
Exact Mass458.22
IUPAC Name2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCNC(=O)NCCC[Si](C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H34N2O5Si/c1-4-20(2)23(27)29-18-17-26-24(28)25-16-11-19-32(3,30-21-12-7-5-8-13-21)31-22-14-9-6-10-15-22/h5-10,12-15,20H,4,11,16-19H2,1-3H3,(H2,25,26,28)
InChIKeyBXTKFAZWGSOOIO-UHFFFAOYSA-N
XLogP4.49
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylcarbamoylamino)ethyl 2-methylbutanoate;2-(phenylcarbamoylamino)ethyl 2-methylbutanoate;2-(phenylmethoxycarbonylamino)ethyl 2-methylbutanoate
CID 159520565
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
phenyl 2-methylbutanoate;trimethylalumane
CID 155613755
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
1-butyl-3-(phenoxymethyl)urea
CID 108888779
1-O-[2-(phenoxycarbonylamino)ethyl] 4-O-phenyl 2-butan-2-ylbutanedioate
CID 161475773
N-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl]-2-methylbutanamide
CID 20652817
2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butanamide
CID 22976427
1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea
CID 108883305
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate?
The IUPAC name of 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate (CID 59439700) is 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate.
What is the SMILES notation for 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate?
The canonical SMILES for 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate is CCC(C)C(=O)OCCNC(=O)NCCC[Si](C)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate?
The InChIKey is BXTKFAZWGSOOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5Si/c1-4-20(2)23(27)29-18-17-26-24(28)25-16-11-19-32(3,30-21-12-7-5-8-13-21)31-22-14-9-6-10-15-22/h5-10,12-15,20H,4,11,16-19H2,1-3H3,(H2,25,26,28).
What are the key properties of 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate?
2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate has a molecular weight of 458.63 g/mol, XLogP of 4.49, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate is sourced from PubChem (CID 59439700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).