(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide

C22H37NO2Si — CID 24769790

IUPAC(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide
SMILESCCC/C=C/C(=O)N(C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H37NO2Si/c1-9-10-12-17-20(24)23(6)18(2)21(19-15-13-11-14-16-19)25-26(7,8)22(3,4)5/h11-18,21H,9-10H2,1-8H3/b17-12+/t18-,21+/m0/s1
InChIKeyBTPMJUJJRHWULT-SNLYCYBESA-N
MW375.63 g/mol
LogP5.95
Rot. Bonds8

About (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide

(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide (PubChem CID 24769790) has the molecular formula C22H37NO2Si and a molecular weight of 375.63 g/mol. Its IUPAC name is (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide
PubChem CID24769790
Molecular FormulaC22H37NO2Si
Molecular Weight375.63 g/mol
Exact Mass375.26
IUPAC Name(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide
SMILESCCC/C=C/C(=O)N(C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H37NO2Si/c1-9-10-12-17-20(24)23(6)18(2)21(19-15-13-11-14-16-19)25-26(7,8)22(3,4)5/h11-18,21H,9-10H2,1-8H3/b17-12+/t18-,21+/m0/s1
InChIKeyBTPMJUJJRHWULT-SNLYCYBESA-N
XLogP5.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.63
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
CID 91753971
N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide
CID 91753864
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate
CID 11190937
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
(3S)-N-[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-1-phenylpropan-2-yl]-3-(dibenzylamino)-N-methylbutanamide
CID 11607153
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134927879
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134918633
S-ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylpropanethioate
CID 134931464
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide?
The IUPAC name of (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide (CID 24769790) is (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide.
What is the SMILES notation for (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide?
The canonical SMILES for (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide is CCC/C=C/C(=O)N(C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide?
The InChIKey is BTPMJUJJRHWULT-SNLYCYBESA-N. The full InChI is InChI=1S/C22H37NO2Si/c1-9-10-12-17-20(24)23(6)18(2)21(19-15-13-11-14-16-19)25-26(7,8)22(3,4)5/h11-18,21H,9-10H2,1-8H3/b17-12+/t18-,21+/m0/s1.
What are the key properties of (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide?
(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide has a molecular weight of 375.63 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide is sourced from PubChem (CID 24769790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).