N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide

C18H21N3O2Si — CID 102574380

IUPACN-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide
SMILESC=CC[Si](C)(C)[C@H](CC(=O)NC(=O)c1ccccc1)C(C#N)C#N
InChIInChI=1S/C18H21N3O2Si/c1-4-10-24(2,3)16(15(12-19)13-20)11-17(22)21-18(23)14-8-6-5-7-9-14/h4-9,15-16H,1,10-11H2,2-3H3,(H,21,22,23)/t16-/m1/s1
InChIKeyFFNOCPXIGNFLPL-MRXNPFEDSA-N
MW339.47 g/mol
LogP3.26
Rot. Bonds7

About N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide

N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide (PubChem CID 102574380) has the molecular formula C18H21N3O2Si and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide
PubChem CID102574380
Molecular FormulaC18H21N3O2Si
Molecular Weight339.47 g/mol
Exact Mass339.14
IUPAC NameN-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide
SMILESC=CC[Si](C)(C)[C@H](CC(=O)NC(=O)c1ccccc1)C(C#N)C#N
InChIInChI=1S/C18H21N3O2Si/c1-4-10-24(2,3)16(15(12-19)13-20)11-17(22)21-18(23)14-8-6-5-7-9-14/h4-9,15-16H,1,10-11H2,2-3H3,(H,21,22,23)/t16-/m1/s1
InChIKeyFFNOCPXIGNFLPL-MRXNPFEDSA-N
XLogP3.26
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide
CID 134999989
N-(3,3-diphenylpropanoyl)benzamide
CID 101440172
methyl (2R,3R)-3-(2-benzamido-2-oxoethyl)-2-cyano-2-phenylhexanoate
CID 134918018
[dimethyl(prop-2-enyl)silyl]-phenylmethanone
CID 135057035
(benzoyloxy-methyl-prop-2-enylsilyl) benzoate
CID 54168383
N-[methyl(prop-2-enyl)carbamothioyl]benzamide
CID 71374205
N-methylbenzamide
CID 11954
N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide
CID 146165038
N-(2-cyano-3,3-dimethylbutanoyl)benzamide
CID 13449411
N-carbonocyanidoylbenzamide
CID 121227366
methyl 3-benzamido-3-oxopropanoate
CID 11345054
N-penta-1,3-dien-3-ylbenzamide
CID 76693459

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide?
The IUPAC name of N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide (CID 102574380) is N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide.
What is the SMILES notation for N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide?
The canonical SMILES for N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide is C=CC[Si](C)(C)[C@H](CC(=O)NC(=O)c1ccccc1)C(C#N)C#N.
What is the InChIKey of N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide?
The InChIKey is FFNOCPXIGNFLPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2Si/c1-4-10-24(2,3)16(15(12-19)13-20)11-17(22)21-18(23)14-8-6-5-7-9-14/h4-9,15-16H,1,10-11H2,2-3H3,(H,21,22,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide?
N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide has a molecular weight of 339.47 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide is sourced from PubChem (CID 102574380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).