2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate

C24H42N2O3Si — CID 10455610

IUPAC2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)[C@@H]([C@H](C)C(=O)NCCOC(=O)N(C(C)C)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H42N2O3Si/c1-17(2)22(30(8,9)21-13-11-10-12-14-21)20(7)23(27)25-15-16-29-24(28)26(18(3)4)19(5)6/h10-14,17-20,22H,15-16H2,1-9H3,(H,25,27)/t20-,22-/m0/s1
InChIKeyIJFVORRGNRVDGH-UNMCSNQZSA-N
MW434.70 g/mol
LogP4.64
Rot. Bonds10

About 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate

2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate (PubChem CID 10455610) has the molecular formula C24H42N2O3Si and a molecular weight of 434.70 g/mol. Its IUPAC name is 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate
PubChem CID10455610
Molecular FormulaC24H42N2O3Si
Molecular Weight434.70 g/mol
Exact Mass434.30
IUPAC Name2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)[C@@H]([C@H](C)C(=O)NCCOC(=O)N(C(C)C)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H42N2O3Si/c1-17(2)22(30(8,9)21-13-11-10-12-14-21)20(7)23(27)25-15-16-29-24(28)26(18(3)4)19(5)6/h10-14,17-20,22H,15-16H2,1-9H3,(H,25,27)/t20-,22-/m0/s1
InChIKeyIJFVORRGNRVDGH-UNMCSNQZSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.70
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate (CID 10455610) is 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate is CC(C)[C@@H]([C@H](C)C(=O)NCCOC(=O)N(C(C)C)C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is IJFVORRGNRVDGH-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H42N2O3Si/c1-17(2)22(30(8,9)21-13-11-10-12-14-21)20(7)23(27)25-15-16-29-24(28)26(18(3)4)19(5)6/h10-14,17-20,22H,15-16H2,1-9H3,(H,25,27)/t20-,22-/m0/s1.
What are the key properties of 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate?
2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 434.70 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10455610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).