(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol

C32H47NOSi2 — CID 101252588

IUPAC(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](CC(O)(C[Si](C)(C)C)C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C32H47NOSi2/c1-27(29-19-13-9-14-20-29)33(24-28-17-11-8-12-18-28)31(30-21-15-10-16-22-30)23-32(34,25-35(2,3)4)26-36(5,6)7/h8-22,27,31,34H,23-26H2,1-7H3/t27-,31+/m1/s1
InChIKeyOFJLSDZGQFAUAP-JOMNFKBKSA-N
MW517.91 g/mol
LogP8.79
Rot. Bonds12

About (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol

(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol (PubChem CID 101252588) has the molecular formula C32H47NOSi2 and a molecular weight of 517.91 g/mol. Its IUPAC name is (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol.

Molecular Properties

Compound Name(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol
PubChem CID101252588
Molecular FormulaC32H47NOSi2
Molecular Weight517.91 g/mol
Exact Mass517.32
IUPAC Name(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](CC(O)(C[Si](C)(C)C)C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C32H47NOSi2/c1-27(29-19-13-9-14-20-29)33(24-28-17-11-8-12-18-28)31(30-21-15-10-16-22-30)23-32(34,25-35(2,3)4)26-36(5,6)7/h8-22,27,31,34H,23-26H2,1-7H3/t27-,31+/m1/s1
InChIKeyOFJLSDZGQFAUAP-JOMNFKBKSA-N
XLogP8.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.91
LogP ≤ 58.79
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

(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
CID 11559802
3-[benzyl(1-phenylethyl)amino]butanoic acid
CID 19790414
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
CID 101191721
(E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-en-1-ol
CID 10364549
1-benzyl-1-[(1S)-1-phenylethyl]hydrazine
CID 101079144
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
methyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(4-methoxyphenyl)propanoate
CID 59896331
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde
CID 101191724
(3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(3-iodophenyl)propanoic acid
CID 135366817
benzyl (3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate
CID 134836354
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol?
The IUPAC name of (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol (CID 101252588) is (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol.
What is the SMILES notation for (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol?
The canonical SMILES for (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol is C[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](CC(O)(C[Si](C)(C)C)C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol?
The InChIKey is OFJLSDZGQFAUAP-JOMNFKBKSA-N. The full InChI is InChI=1S/C32H47NOSi2/c1-27(29-19-13-9-14-20-29)33(24-28-17-11-8-12-18-28)31(30-21-15-10-16-22-30)23-32(34,25-35(2,3)4)26-36(5,6)7/h8-22,27,31,34H,23-26H2,1-7H3/t27-,31+/m1/s1.
What are the key properties of (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol?
(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol has a molecular weight of 517.91 g/mol, XLogP of 8.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol is sourced from PubChem (CID 101252588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).