(2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide

C26H38ClNO2SeSi — CID 10506588

IUPAC(2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide
SMILESCC(C)(C)NC(=O)[C@H](C[Se]c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C26H38ClNO2SeSi/c1-25(2,3)28-24(29)22(18-31-21-12-10-9-11-13-21)23(19-14-16-20(27)17-15-19)30-32(7,8)26(4,5)6/h9-17,22-23H,18H2,1-8H3,(H,28,29)/t22-,23+/m1/s1
InChIKeyLFUJQVJEDJQKSW-PKTZIBPZSA-N
MW539.09 g/mol
LogP6.38
Rot. Bonds8

About (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide

(2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide (PubChem CID 10506588) has the molecular formula C26H38ClNO2SeSi and a molecular weight of 539.09 g/mol. Its IUPAC name is (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide.

Molecular Properties

Compound Name(2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide
PubChem CID10506588
Molecular FormulaC26H38ClNO2SeSi
Molecular Weight539.09 g/mol
Exact Mass539.15
IUPAC Name(2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide
SMILESCC(C)(C)NC(=O)[C@H](C[Se]c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C26H38ClNO2SeSi/c1-25(2,3)28-24(29)22(18-31-21-12-10-9-11-13-21)23(19-14-16-20(27)17-15-19)30-32(7,8)26(4,5)6/h9-17,22-23H,18H2,1-8H3,(H,28,29)/t22-,23+/m1/s1
InChIKeyLFUJQVJEDJQKSW-PKTZIBPZSA-N
XLogP6.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.09
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
CID 10335827
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid
CID 140540638
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
CID 24813675
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
CID 12968566
1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 10667277

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide?
The IUPAC name of (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide (CID 10506588) is (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide.
What is the SMILES notation for (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide?
The canonical SMILES for (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide is CC(C)(C)NC(=O)[C@H](C[Se]c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide?
The InChIKey is LFUJQVJEDJQKSW-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H38ClNO2SeSi/c1-25(2,3)28-24(29)22(18-31-21-12-10-9-11-13-21)23(19-14-16-20(27)17-15-19)30-32(7,8)26(4,5)6/h9-17,22-23H,18H2,1-8H3,(H,28,29)/t22-,23+/m1/s1.
What are the key properties of (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide?
(2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide has a molecular weight of 539.09 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide is sourced from PubChem (CID 10506588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).