N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide

C27H33NO5Si — CID 69454718

IUPACN-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1ccc(Oc2cc(C)cc3c2C(C(C)C)C[Si]3(C)C)o1
InChIInChI=1S/C27H33NO5Si/c1-16(2)18-15-34(6,7)23-14-17(3)13-22(25(18)23)33-24-12-11-21(32-24)27(29)28-26-19(30-4)9-8-10-20(26)31-5/h8-14,16,18H,15H2,1-7H3,(H,28,29)
InChIKeyMGLNUELAPSHKMJ-UHFFFAOYSA-N
MW479.65 g/mol
LogP6.32
Rot. Bonds7

About N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide

N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide (PubChem CID 69454718) has the molecular formula C27H33NO5Si and a molecular weight of 479.65 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide
PubChem CID69454718
Molecular FormulaC27H33NO5Si
Molecular Weight479.65 g/mol
Exact Mass479.21
IUPAC NameN-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1ccc(Oc2cc(C)cc3c2C(C(C)C)C[Si]3(C)C)o1
InChIInChI=1S/C27H33NO5Si/c1-16(2)18-15-34(6,7)23-14-17(3)13-22(25(18)23)33-24-12-11-21(32-24)27(29)28-26-19(30-4)9-8-10-20(26)31-5/h8-14,16,18H,15H2,1-7H3,(H,28,29)
InChIKeyMGLNUELAPSHKMJ-UHFFFAOYSA-N
XLogP6.32
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide (CID 69454718) is N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide is COc1cccc(OC)c1NC(=O)c1ccc(Oc2cc(C)cc3c2C(C(C)C)C[Si]3(C)C)o1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide?
The InChIKey is MGLNUELAPSHKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO5Si/c1-16(2)18-15-34(6,7)23-14-17(3)13-22(25(18)23)33-24-12-11-21(32-24)27(29)28-26-19(30-4)9-8-10-20(26)31-5/h8-14,16,18H,15H2,1-7H3,(H,28,29).
What are the key properties of N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide?
N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 69454718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).