N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide

C22H31NO4Si — CID 134941315

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C22H31NO4Si/c1-22(2,3)28(4,5)27-20-13-9-18(10-14-20)23-21(25)17-7-11-19(12-8-17)26-16-6-15-24/h7-14,24H,6,15-16H2,1-5H3,(H,23,25)
InChIKeyNDPRHUUFSFIHQQ-UHFFFAOYSA-N
MW401.58 g/mol
LogP5.08
Rot. Bonds8

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide (PubChem CID 134941315) has the molecular formula C22H31NO4Si and a molecular weight of 401.58 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide
PubChem CID134941315
Molecular FormulaC22H31NO4Si
Molecular Weight401.58 g/mol
Exact Mass401.20
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C22H31NO4Si/c1-22(2,3)28(4,5)27-20-13-9-18(10-14-20)23-21(25)17-7-11-19(12-8-17)26-16-6-15-24/h7-14,24H,6,15-16H2,1-5H3,(H,23,25)
InChIKeyNDPRHUUFSFIHQQ-UHFFFAOYSA-N
XLogP5.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
CID 23520545
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide (CID 134941315) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccc(OCCCO)cc2)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide?
The InChIKey is NDPRHUUFSFIHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4Si/c1-22(2,3)28(4,5)27-20-13-9-18(10-14-20)23-21(25)17-7-11-19(12-8-17)26-16-6-15-24/h7-14,24H,6,15-16H2,1-5H3,(H,23,25).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide has a molecular weight of 401.58 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(3-hydroxypropoxy)benzamide is sourced from PubChem (CID 134941315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).