N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide

C24H29NOSi — CID 101468566

IUPACN-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide
SMILESCC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)CNC(=O)c1ccccc1
InChIInChI=1S/C24H29NOSi/c1-24(2,3)27(4,5)17-16-21(18-20-12-8-6-9-13-20)19-25-23(26)22-14-10-7-11-15-22/h6-15,18H,19H2,1-5H3,(H,25,26)/b21-18-
InChIKeyMDRFOCSGGIWJAV-UZYVYHOESA-N
MW375.59 g/mol
LogP5.55
Rot. Bonds4

About N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide

N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide (PubChem CID 101468566) has the molecular formula C24H29NOSi and a molecular weight of 375.59 g/mol. Its IUPAC name is N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide.

Molecular Properties

Compound NameN-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide
PubChem CID101468566
Molecular FormulaC24H29NOSi
Molecular Weight375.59 g/mol
Exact Mass375.20
IUPAC NameN-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide
SMILESCC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)CNC(=O)c1ccccc1
InChIInChI=1S/C24H29NOSi/c1-24(2,3)27(4,5)17-16-21(18-20-12-8-6-9-13-20)19-25-23(26)22-14-10-7-11-15-22/h6-15,18H,19H2,1-5H3,(H,25,26)/b21-18-
InChIKeyMDRFOCSGGIWJAV-UZYVYHOESA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.59
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z)-3-(methoxymethyl)-4-phenylbut-3-en-1-ynyl]-dimethylsilane
CID 102296200
tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
CID 102080744
(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
CID 16756347
[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate
CID 101221460
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
CID 61262989
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79381250
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204
4-[[(E)-2,3-diphenylprop-2-enyl]amino]-N-(2-hydroxyethyl)benzamide
CID 177366331
N-ethylbenzamide
CID 160772566
2-benzamidoacetic acid;prop-2-enamide
CID 175727656
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide?
The IUPAC name of N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide (CID 101468566) is N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide.
What is the SMILES notation for N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide?
The canonical SMILES for N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide is CC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)CNC(=O)c1ccccc1.
What is the InChIKey of N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide?
The InChIKey is MDRFOCSGGIWJAV-UZYVYHOESA-N. The full InChI is InChI=1S/C24H29NOSi/c1-24(2,3)27(4,5)17-16-21(18-20-12-8-6-9-13-20)19-25-23(26)22-14-10-7-11-15-22/h6-15,18H,19H2,1-5H3,(H,25,26)/b21-18-.
What are the key properties of N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide?
N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide has a molecular weight of 375.59 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide is sourced from PubChem (CID 101468566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).