N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide

C25H40N2O5Si — CID 139683108

IUPACN-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C25H40N2O5Si/c1-15(2)27(24(30)18-13-11-12-14-19(18)31-8)23(29)16(3)21-20(22(28)26-21)17(4)32-33(9,10)25(5,6)7/h11-17,20-21H,1-10H3,(H,26,28)/t16-,17-,20-,21-/m1/s1
InChIKeyJCDLKNFSKRXPJE-DEPWHIHDSA-N
MW476.69 g/mol
LogP4.23
Rot. Bonds8

About N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide

N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 139683108) has the molecular formula C25H40N2O5Si and a molecular weight of 476.69 g/mol. Its IUPAC name is N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide
PubChem CID139683108
Molecular FormulaC25H40N2O5Si
Molecular Weight476.69 g/mol
Exact Mass476.27
IUPAC NameN-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C25H40N2O5Si/c1-15(2)27(24(30)18-13-11-12-14-19(18)31-8)23(29)16(3)21-20(22(28)26-21)17(4)32-33(9,10)25(5,6)7/h11-17,20-21H,1-10H3,(H,26,28)/t16-,17-,20-,21-/m1/s1
InChIKeyJCDLKNFSKRXPJE-DEPWHIHDSA-N
XLogP4.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 4963484
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 24982263
3-[(2R)-2-[(3S,4R)-3-[(1R)-1-t-butyldimethylsilyloxyethyl]-2-oxoazetidin-4-yl]propionyl}-spiro[2,3-dihydro-4H-1,3-benzoxazine-2,1'-cyclohexan]-4-one
CID 10345898
N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide
CID 11625600
methyl (3R)-8-[tert-butyl(dimethyl)silyl]oxy-2-cyano-3-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl]octanoate
CID 102255343
2-butoxy-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 54082
1-[2-(difluoromethoxy)benzoyl]-N-(4-methoxybutan-2-yl)piperidine-3-carboxamide
CID 56343964
5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide
CID 166424580
5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide
CID 166424601
3-[(R)-2-[(3S,4R)-3-[(R)-1-tert-butyldimethylsilyloxyethyl]-2-oxoazetidin-4-yl]propionyl]-2,3-dihydro-2,2-dimethyl-4H-1,3-benzoxazin-4-one
CID 10004449
2,2-dibutyl-3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-1,3-benzoxazin-4-one
CID 10325118
3-{(2R)-2-[(3S, 4R)-1-allyloxycarbonylmethyl-3-[(1R)-1-t-butyldimethylsilyloxyethyl]-2-oxoazetidin-4-yl]propionyl}-spiro[2,3-dihydro-4H-1,3-benzoxazine-2,1'-cyclohexan]-4-one
CID 10326224

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide (CID 139683108) is N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide is COc1ccccc1C(=O)N(C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is JCDLKNFSKRXPJE-DEPWHIHDSA-N. The full InChI is InChI=1S/C25H40N2O5Si/c1-15(2)27(24(30)18-13-11-12-14-19(18)31-8)23(29)16(3)21-20(22(28)26-21)17(4)32-33(9,10)25(5,6)7/h11-17,20-21H,1-10H3,(H,26,28)/t16-,17-,20-,21-/m1/s1.
What are the key properties of N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide?
N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 476.69 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 139683108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).