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

C30H46N2O3Si — CID 157143275

IUPAC(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide
SMILESCCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C30H46N2O3Si/c1-7-25(33)23-32(29(34)28(31)22-24(2)3)20-14-15-21-35-36(30(4,5)6,26-16-10-8-11-17-26)27-18-12-9-13-19-27/h8-13,16-19,24,28H,7,14-15,20-23,31H2,1-6H3/t28-/m0/s1
InChIKeyQBGMVYAYXAAMNE-NDEPHWFRSA-N
MW510.80 g/mol
LogP4.52
Rot. Bonds14

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

(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide (PubChem CID 157143275) has the molecular formula C30H46N2O3Si and a molecular weight of 510.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide
PubChem CID157143275
Molecular FormulaC30H46N2O3Si
Molecular Weight510.80 g/mol
Exact Mass510.33
IUPAC Name(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide
SMILESCCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C30H46N2O3Si/c1-7-25(33)23-32(29(34)28(31)22-24(2)3)20-14-15-21-35-36(30(4,5)6,26-16-10-8-11-17-26)27-18-12-9-13-19-27/h8-13,16-19,24,28H,7,14-15,20-23,31H2,1-6H3/t28-/m0/s1
InChIKeyQBGMVYAYXAAMNE-NDEPHWFRSA-N
XLogP4.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide (CID 157143275) is (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide is CCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide?
The InChIKey is QBGMVYAYXAAMNE-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H46N2O3Si/c1-7-25(33)23-32(29(34)28(31)22-24(2)3)20-14-15-21-35-36(30(4,5)6,26-16-10-8-11-17-26)27-18-12-9-13-19-27/h8-13,16-19,24,28H,7,14-15,20-23,31H2,1-6H3/t28-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide?
(2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide has a molecular weight of 510.80 g/mol, XLogP of 4.52, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-N-(2-oxobutyl)pentanamide is sourced from PubChem (CID 157143275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).