N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide

C21H29NOSi — CID 51050520

IUPACN-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide
SMILESCCC[C@H](NC(C)=O)[Si](C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H29NOSi/c1-6-7-21(22-18(4)23)24(5,19-12-8-16(2)9-13-19)20-14-10-17(3)11-15-20/h8-15,21H,6-7H2,1-5H3,(H,22,23)/t21-/m1/s1
InChIKeyXJMCTZIYFBWQAL-OAQYLSRUSA-N
MW339.56 g/mol
LogP3.34
Rot. Bonds6

About N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide

N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide (PubChem CID 51050520) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide
PubChem CID51050520
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC NameN-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide
SMILESCCC[C@H](NC(C)=O)[Si](C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H29NOSi/c1-6-7-21(22-18(4)23)24(5,19-12-8-16(2)9-13-19)20-14-10-17(3)11-15-20/h8-15,21H,6-7H2,1-5H3,(H,22,23)/t21-/m1/s1
InChIKeyXJMCTZIYFBWQAL-OAQYLSRUSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)acetamide
CID 70143
SA-58035
CID 122215
N-Phenethyl-3-phenyl-acrylamide
CID 795855
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
4-phenyl-N-(2-phenylethyl)butanamide
CID 836348
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
N-(3,3-diphenylpropyl)acetamide
CID 5151463
N-(1-benzyl-2-phenylethyl)acetamide
CID 744355
N,N'-bis(3-phenylpropyl)butanediamide
CID 2931469
N-[2-(3-Benzylphenyl)ethyl]propanamide
CID 16094579
N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide
CID 122649219
N,N'-1,3-propanediylbis(3-phenylacrylamide)
CID 2172194

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide?
The IUPAC name of N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide (CID 51050520) is N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide?
The canonical SMILES for N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide is CCC[C@H](NC(C)=O)[Si](C)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide?
The InChIKey is XJMCTZIYFBWQAL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-6-7-21(22-18(4)23)24(5,19-12-8-16(2)9-13-19)20-14-10-17(3)11-15-20/h8-15,21H,6-7H2,1-5H3,(H,22,23)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide?
N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide has a molecular weight of 339.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[methyl-bis(4-methylphenyl)silyl]butyl]acetamide is sourced from PubChem (CID 51050520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).