3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide

C28H41NOSi — CID 54416603

IUPAC3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
SMILESCCCC[Si]1(CCC(=O)NC(Cc2ccc(C)cc2)c2ccccc2)CCC(C)CC1
InChIInChI=1S/C28H41NOSi/c1-4-5-18-31(19-15-24(3)16-20-31)21-17-28(30)29-27(26-9-7-6-8-10-26)22-25-13-11-23(2)12-14-25/h6-14,24,27H,4-5,15-22H2,1-3H3,(H,29,30)
InChIKeyVXWWNTXOUHGQCD-UHFFFAOYSA-N
MW435.73 g/mol
LogP7.46
Rot. Bonds10

About 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide

3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide (PubChem CID 54416603) has the molecular formula C28H41NOSi and a molecular weight of 435.73 g/mol. Its IUPAC name is 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
PubChem CID54416603
Molecular FormulaC28H41NOSi
Molecular Weight435.73 g/mol
Exact Mass435.30
IUPAC Name3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
SMILESCCCC[Si]1(CCC(=O)NC(Cc2ccc(C)cc2)c2ccccc2)CCC(C)CC1
InChIInChI=1S/C28H41NOSi/c1-4-5-18-31(19-15-24(3)16-20-31)21-17-28(30)29-27(26-9-7-6-8-10-26)22-25-13-11-23(2)12-14-25/h6-14,24,27H,4-5,15-22H2,1-3H3,(H,29,30)
InChIKeyVXWWNTXOUHGQCD-UHFFFAOYSA-N
XLogP7.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.73
LogP ≤ 57.46
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-(1,2-diphenylethyl)pentanamide
CID 134014505
(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044
3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
CID 130246328
N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide
CID 67913722
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
CID 67913687
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
CID 54381001
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
The IUPAC name of 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide (CID 54416603) is 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide is CCCC[Si]1(CCC(=O)NC(Cc2ccc(C)cc2)c2ccccc2)CCC(C)CC1.
What is the InChIKey of 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
The InChIKey is VXWWNTXOUHGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NOSi/c1-4-5-18-31(19-15-24(3)16-20-31)21-17-28(30)29-27(26-9-7-6-8-10-26)22-25-13-11-23(2)12-14-25/h6-14,24,27H,4-5,15-22H2,1-3H3,(H,29,30).
What are the key properties of 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide has a molecular weight of 435.73 g/mol, XLogP of 7.46, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide is sourced from PubChem (CID 54416603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).