4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide

C33H51NO4Si — CID 139639432

IUPAC4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide
SMILESCCCCCCCCCCC(=O)c1ccc(O)c(NC(=O)c2ccc(OCCC[Si](C)(C)CCCC)cc2)c1
InChIInChI=1S/C33H51NO4Si/c1-5-7-9-10-11-12-13-14-16-31(35)28-19-22-32(36)30(26-28)34-33(37)27-17-20-29(21-18-27)38-23-15-25-39(3,4)24-8-6-2/h17-22,26,36H,5-16,23-25H2,1-4H3,(H,34,37)
InChIKeyYHKRAIJFVGKZPD-UHFFFAOYSA-N
MW553.86 g/mol
LogP9.64
Rot. Bonds20

About 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide

4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide (PubChem CID 139639432) has the molecular formula C33H51NO4Si and a molecular weight of 553.86 g/mol. Its IUPAC name is 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide
PubChem CID139639432
Molecular FormulaC33H51NO4Si
Molecular Weight553.86 g/mol
Exact Mass553.36
IUPAC Name4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide
SMILESCCCCCCCCCCC(=O)c1ccc(O)c(NC(=O)c2ccc(OCCC[Si](C)(C)CCCC)cc2)c1
InChIInChI=1S/C33H51NO4Si/c1-5-7-9-10-11-12-13-14-16-31(35)28-19-22-32(36)30(26-28)34-33(37)27-17-20-29(21-18-27)38-23-15-25-39(3,4)24-8-6-2/h17-22,26,36H,5-16,23-25H2,1-4H3,(H,34,37)
InChIKeyYHKRAIJFVGKZPD-UHFFFAOYSA-N
XLogP9.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.86
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753903
2-[3-[(4-hexoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108764248
3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide
CID 19813861
N-(4-cyano-7-oxocyclohepta-1,3,5-trien-1-yl)-4-tetradecoxybenzamide
CID 101164201
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
3-[(4-decoxybenzoyl)amino]-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 19813902
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163

Frequently Asked Questions

What is the IUPAC name of 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide?
The IUPAC name of 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide (CID 139639432) is 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide.
What is the SMILES notation for 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide?
The canonical SMILES for 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide is CCCCCCCCCCC(=O)c1ccc(O)c(NC(=O)c2ccc(OCCC[Si](C)(C)CCCC)cc2)c1.
What is the InChIKey of 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide?
The InChIKey is YHKRAIJFVGKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51NO4Si/c1-5-7-9-10-11-12-13-14-16-31(35)28-19-22-32(36)30(26-28)34-33(37)27-17-20-29(21-18-27)38-23-15-25-39(3,4)24-8-6-2/h17-22,26,36H,5-16,23-25H2,1-4H3,(H,34,37).
What are the key properties of 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide?
4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide has a molecular weight of 553.86 g/mol, XLogP of 9.64, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[butyl(dimethyl)silyl]propoxy]-N-(2-hydroxy-5-undecanoylphenyl)benzamide is sourced from PubChem (CID 139639432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).