(2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide

C18H29NO2Si — CID 101393901

IUPAC(2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide
SMILESCC(C)N(C(=O)[C@@]1(c2ccccc2)O[C@H]1[Si](C)(C)C)C(C)C
InChIInChI=1S/C18H29NO2Si/c1-13(2)19(14(3)4)16(20)18(15-11-9-8-10-12-15)17(21-18)22(5,6)7/h8-14,17H,1-7H3/t17-,18+/m0/s1
InChIKeySFKCFSODDNZFAN-ZWKOTPCHSA-N
MW319.52 g/mol
LogP3.80
Rot. Bonds5

About (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide

(2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide (PubChem CID 101393901) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide
PubChem CID101393901
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide
SMILESCC(C)N(C(=O)[C@@]1(c2ccccc2)O[C@H]1[Si](C)(C)C)C(C)C
InChIInChI=1S/C18H29NO2Si/c1-13(2)19(14(3)4)16(20)18(15-11-9-8-10-12-15)17(21-18)22(5,6)7/h8-14,17H,1-7H3/t17-,18+/m0/s1
InChIKeySFKCFSODDNZFAN-ZWKOTPCHSA-N
XLogP3.80
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide (CID 101393901) is (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide is CC(C)N(C(=O)[C@@]1(c2ccccc2)O[C@H]1[Si](C)(C)C)C(C)C.
What is the InChIKey of (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide?
The InChIKey is SFKCFSODDNZFAN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-13(2)19(14(3)4)16(20)18(15-11-9-8-10-12-15)17(21-18)22(5,6)7/h8-14,17H,1-7H3/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide?
(2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide has a molecular weight of 319.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenyl-N,N-di(propan-2-yl)-3-trimethylsilyloxirane-2-carboxamide is sourced from PubChem (CID 101393901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).