N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide

C23H31NO5Si — CID 23817339

IUPACN-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide
SMILESCO[C@@H]1c2cc(NC(=O)c3ccccc3)ccc2O[C@H](C(CCO)[Si](C)(C)O)[C@H]1C
InChIInChI=1S/C23H31NO5Si/c1-15-21(28-2)18-14-17(24-23(26)16-8-6-5-7-9-16)10-11-19(18)29-22(15)20(12-13-25)30(3,4)27/h5-11,14-15,20-22,25,27H,12-13H2,1-4H3,(H,24,26)/t15-,20?,21-,22-/m0/s1
InChIKeyWIFATTJPZSWSSS-HEHDTWMNSA-N
MW429.59 g/mol
LogP3.97
Rot. Bonds7

About N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide

N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide (PubChem CID 23817339) has the molecular formula C23H31NO5Si and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide
PubChem CID23817339
Molecular FormulaC23H31NO5Si
Molecular Weight429.59 g/mol
Exact Mass429.20
IUPAC NameN-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide
SMILESCO[C@@H]1c2cc(NC(=O)c3ccccc3)ccc2O[C@H](C(CCO)[Si](C)(C)O)[C@H]1C
InChIInChI=1S/C23H31NO5Si/c1-15-21(28-2)18-14-17(24-23(26)16-8-6-5-7-9-16)10-11-19(18)29-22(15)20(12-13-25)30(3,4)27/h5-11,14-15,20-22,25,27H,12-13H2,1-4H3,(H,24,26)/t15-,20?,21-,22-/m0/s1
InChIKeyWIFATTJPZSWSSS-HEHDTWMNSA-N
XLogP3.97
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide
CID 23788485
N-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide
CID 23873927
N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide
CID 23817335
N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide
CID 23845905
1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one
CID 23788462
3-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
CID 23901750
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one
CID 23759554
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091374
N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
CID 54633687
N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide
CID 177442196
N-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide
CID 23817325

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide?
The IUPAC name of N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide (CID 23817339) is N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide.
What is the SMILES notation for N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide?
The canonical SMILES for N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide is CO[C@@H]1c2cc(NC(=O)c3ccccc3)ccc2O[C@H](C(CCO)[Si](C)(C)O)[C@H]1C.
What is the InChIKey of N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide?
The InChIKey is WIFATTJPZSWSSS-HEHDTWMNSA-N. The full InChI is InChI=1S/C23H31NO5Si/c1-15-21(28-2)18-14-17(24-23(26)16-8-6-5-7-9-16)10-11-19(18)29-22(15)20(12-13-25)30(3,4)27/h5-11,14-15,20-22,25,27H,12-13H2,1-4H3,(H,24,26)/t15-,20?,21-,22-/m0/s1.
What are the key properties of N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide?
N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S)-2-[3-hydroxy-1-[hydroxy(dimethyl)silyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]benzamide is sourced from PubChem (CID 23817339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).