2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide

C24H37N3O3Si — CID 90350686

IUPAC2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide
SMILESCCC(=O)NCC(NC(=O)CC)C(=O)NCCCCc1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C24H37N3O3Si/c1-6-22(28)26-18-21(27-23(29)7-2)24(30)25-15-9-8-11-19-12-10-13-20(17-19)14-16-31(3,4)5/h10,12-13,17,21H,6-9,11,15,18H2,1-5H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyXPQIKZMPPRZBQL-UHFFFAOYSA-N
MW443.66 g/mol
LogP2.78
Rot. Bonds11

About 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide

2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide (PubChem CID 90350686) has the molecular formula C24H37N3O3Si and a molecular weight of 443.66 g/mol. Its IUPAC name is 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide.

Molecular Properties

Compound Name2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide
PubChem CID90350686
Molecular FormulaC24H37N3O3Si
Molecular Weight443.66 g/mol
Exact Mass443.26
IUPAC Name2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide
SMILESCCC(=O)NCC(NC(=O)CC)C(=O)NCCCCc1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C24H37N3O3Si/c1-6-22(28)26-18-21(27-23(29)7-2)24(30)25-15-9-8-11-19-12-10-13-20(17-19)14-16-31(3,4)5/h10,12-13,17,21H,6-9,11,15,18H2,1-5H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyXPQIKZMPPRZBQL-UHFFFAOYSA-N
XLogP2.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide?
The IUPAC name of 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide (CID 90350686) is 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide.
What is the SMILES notation for 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide?
The canonical SMILES for 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide is CCC(=O)NCC(NC(=O)CC)C(=O)NCCCCc1cccc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide?
The InChIKey is XPQIKZMPPRZBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3Si/c1-6-22(28)26-18-21(27-23(29)7-2)24(30)25-15-9-8-11-19-12-10-13-20(17-19)14-16-31(3,4)5/h10,12-13,17,21H,6-9,11,15,18H2,1-5H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide?
2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide has a molecular weight of 443.66 g/mol, XLogP of 2.78, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(propanoylamino)-N-[4-[3-(2-trimethylsilylethynyl)phenyl]butyl]propanamide is sourced from PubChem (CID 90350686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).