[6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid

C19H30N2O4Si — CID 72683116

IUPAC[6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCC=CCC(=O)NN(C(=O)O)c1ccccc1
InChIInChI=1S/C19H30N2O4Si/c1-19(2,3)26(4,5)25-15-11-7-10-14-17(22)20-21(18(23)24)16-12-8-6-9-13-16/h6-10,12-13H,11,14-15H2,1-5H3,(H,20,22)(H,23,24)
InChIKeyFJXKQRUVEYAWDL-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.56
Rot. Bonds7

About [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid

[6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid (PubChem CID 72683116) has the molecular formula C19H30N2O4Si and a molecular weight of 378.55 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid
PubChem CID72683116
Molecular FormulaC19H30N2O4Si
Molecular Weight378.55 g/mol
Exact Mass378.20
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCC=CCC(=O)NN(C(=O)O)c1ccccc1
InChIInChI=1S/C19H30N2O4Si/c1-19(2,3)26(4,5)25-15-11-7-10-14-17(22)20-21(18(23)24)16-12-8-6-9-13-16/h6-10,12-13H,11,14-15H2,1-5H3,(H,20,22)(H,23,24)
InChIKeyFJXKQRUVEYAWDL-UHFFFAOYSA-N
XLogP4.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.56
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid (CID 72683116) is [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid is CC(C)(C)[Si](C)(C)OCCC=CCC(=O)NN(C(=O)O)c1ccccc1.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid?
The InChIKey is FJXKQRUVEYAWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4Si/c1-19(2,3)26(4,5)25-15-11-7-10-14-17(22)20-21(18(23)24)16-12-8-6-9-13-16/h6-10,12-13H,11,14-15H2,1-5H3,(H,20,22)(H,23,24).
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid?
[6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid has a molecular weight of 378.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxyhex-3-enoylamino]-phenylcarbamic acid is sourced from PubChem (CID 72683116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).