2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide

C42H90N4O6Si3 — CID 102390825

IUPAC2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)CN(CC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C)CC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C
InChIInChI=1S/C42H90N4O6Si3/c1-31(2)22-34(28-50-53(16,17)40(7,8)9)43-37(47)25-46(26-38(48)44-35(23-32(3)4)29-51-54(18,19)41(10,11)12)27-39(49)45-36(24-33(5)6)30-52-55(20,21)42(13,14)15/h31-36H,22-30H2,1-21H3,(H,43,47)(H,44,48)(H,45,49)/t34-,35-,36-/m0/s1
InChIKeyNOWZPAUQZXZRGN-KVBYWJEESA-N
MW831.46 g/mol
LogP8.95
Rot. Bonds24

About 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide

2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide (PubChem CID 102390825) has the molecular formula C42H90N4O6Si3 and a molecular weight of 831.46 g/mol. Its IUPAC name is 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide
PubChem CID102390825
Molecular FormulaC42H90N4O6Si3
Molecular Weight831.46 g/mol
Exact Mass830.62
IUPAC Name2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)CN(CC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C)CC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C
InChIInChI=1S/C42H90N4O6Si3/c1-31(2)22-34(28-50-53(16,17)40(7,8)9)43-37(47)25-46(26-38(48)44-35(23-32(3)4)29-51-54(18,19)41(10,11)12)27-39(49)45-36(24-33(5)6)30-52-55(20,21)42(13,14)15/h31-36H,22-30H2,1-21H3,(H,43,47)(H,44,48)(H,45,49)/t34-,35-,36-/m0/s1
InChIKeyNOWZPAUQZXZRGN-KVBYWJEESA-N
XLogP8.95
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.46
LogP ≤ 58.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide with MolForge

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Related Compounds

[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-N-methylpropan-2-amine
CID 71418024
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318
[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid
CID 18672180

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide?
The IUPAC name of 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide (CID 102390825) is 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide is CC(C)C[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)CN(CC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C)CC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)CC(C)C.
What is the InChIKey of 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide?
The InChIKey is NOWZPAUQZXZRGN-KVBYWJEESA-N. The full InChI is InChI=1S/C42H90N4O6Si3/c1-31(2)22-34(28-50-53(16,17)40(7,8)9)43-37(47)25-46(26-38(48)44-35(23-32(3)4)29-51-54(18,19)41(10,11)12)27-39(49)45-36(24-33(5)6)30-52-55(20,21)42(13,14)15/h31-36H,22-30H2,1-21H3,(H,43,47)(H,44,48)(H,45,49)/t34-,35-,36-/m0/s1.
What are the key properties of 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide?
2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide has a molecular weight of 831.46 g/mol, XLogP of 8.95, 24 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 102390825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).