(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide

C29H43N3O4Si — CID 158318686

IUPAC(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide
SMILESCCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C29H43N3O4Si/c1-5-23(33)22-32(28(35)26(30)18-19-27(31)34)20-12-13-21-36-37(29(2,3)4,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,26H,5,12-13,18-22,30H2,1-4H3,(H2,31,34)/t26-/m0/s1
InChIKeyNCDOBJMFVQGMEC-SANMLTNESA-N
MW525.77 g/mol
LogP2.74
Rot. Bonds15

About (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide

(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide (PubChem CID 158318686) has the molecular formula C29H43N3O4Si and a molecular weight of 525.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide
PubChem CID158318686
Molecular FormulaC29H43N3O4Si
Molecular Weight525.77 g/mol
Exact Mass525.30
IUPAC Name(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide
SMILESCCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C29H43N3O4Si/c1-5-23(33)22-32(28(35)26(30)18-19-27(31)34)20-12-13-21-36-37(29(2,3)4,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,26H,5,12-13,18-22,30H2,1-4H3,(H2,31,34)/t26-/m0/s1
InChIKeyNCDOBJMFVQGMEC-SANMLTNESA-N
XLogP2.74
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

butyl 4-[(2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate
CID 66855976
Butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate
CID 66855979
3-[4-(tert-Butyl-diphenyl-silanyloxy)-piperidin-1-yl]-pyrrolidin-2-one
CID 67354107
tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate
CID 153486042
(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide
CID 157143275
(2S)-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-(chloroamino)-N-(2-oxobutyl)pentanediamide
CID 158920583
tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate
CID 163232058
tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
CID 169079961
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylic acid
CID 173853525
(2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid
CID 174056868
(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid
CID 174056871
2-[3-[Tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid
CID 174056872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide (CID 158318686) is (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide is CCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)[C@@H](N)CCC(N)=O.
What is the InChIKey of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide?
The InChIKey is NCDOBJMFVQGMEC-SANMLTNESA-N. The full InChI is InChI=1S/C29H43N3O4Si/c1-5-23(33)22-32(28(35)26(30)18-19-27(31)34)20-12-13-21-36-37(29(2,3)4,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,26H,5,12-13,18-22,30H2,1-4H3,(H2,31,34)/t26-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide?
(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide has a molecular weight of 525.77 g/mol, XLogP of 2.74, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-N-(2-oxobutyl)pentanediamide is sourced from PubChem (CID 158318686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).