N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide

C14H24N2O2Si — CID 111778041

IUPACN-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide
SMILESC[Si](C)(C)CNc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C14H24N2O2Si/c1-19(2,3)11-16-13-7-5-12(6-8-13)14(18)15-9-4-10-17/h5-8,16-17H,4,9-11H2,1-3H3,(H,15,18)
InChIKeyAHRIRNKWWIGIFX-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.09
Rot. Bonds7

About N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide

N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide (PubChem CID 111778041) has the molecular formula C14H24N2O2Si and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide
PubChem CID111778041
Molecular FormulaC14H24N2O2Si
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide
SMILESC[Si](C)(C)CNc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C14H24N2O2Si/c1-19(2,3)11-16-13-7-5-12(6-8-13)14(18)15-9-4-10-17/h5-8,16-17H,4,9-11H2,1-3H3,(H,15,18)
InChIKeyAHRIRNKWWIGIFX-UHFFFAOYSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-[(5-chlorothiophen-2-yl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111778047
4-(hydroxymethyl)-N-(trimethylsilylmethyl)benzamide
CID 174748674
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
CID 98018400
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide (CID 111778041) is N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide is C[Si](C)(C)CNc1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide?
The InChIKey is AHRIRNKWWIGIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2Si/c1-19(2,3)11-16-13-7-5-12(6-8-13)14(18)15-9-4-10-17/h5-8,16-17H,4,9-11H2,1-3H3,(H,15,18).
What are the key properties of N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide?
N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide has a molecular weight of 280.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide is sourced from PubChem (CID 111778041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).