tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate

C26H37NO2Si — CID 11575431

IUPACtert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
SMILESC=C([C@@H](C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C26H37NO2Si/c1-20(2)24(21(3)30(7,8)23-17-13-10-14-18-23)27(25(28)29-26(4,5)6)19-22-15-11-9-12-16-22/h9-18,20,24H,3,19H2,1-2,4-8H3/t24-/m1/s1
InChIKeyQACDABAEQLRHQJ-XMMPIXPASA-N
MW423.67 g/mol
LogP6.16
Rot. Bonds7

About tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate

tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate (PubChem CID 11575431) has the molecular formula C26H37NO2Si and a molecular weight of 423.67 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
PubChem CID11575431
Molecular FormulaC26H37NO2Si
Molecular Weight423.67 g/mol
Exact Mass423.26
IUPAC Nametert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
SMILESC=C([C@@H](C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C26H37NO2Si/c1-20(2)24(21(3)30(7,8)23-17-13-10-14-18-23)27(25(28)29-26(4,5)6)19-22-15-11-9-12-16-22/h9-18,20,24H,3,19H2,1-2,4-8H3/t24-/m1/s1
InChIKeyQACDABAEQLRHQJ-XMMPIXPASA-N
XLogP6.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11589908
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
CID 177468393
tert-butyl N-benzyl-N-(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamate
CID 71317665
tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
CID 10786034
methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 11714319
(E,2R,3R)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-phenylpent-4-enoic acid
CID 134747923
methyl (2S,3S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxy-5-methylhexanoate
CID 11089834
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]acetic acid
CID 170835837
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate (CID 11575431) is tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate is C=C([C@@H](C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate?
The InChIKey is QACDABAEQLRHQJ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H37NO2Si/c1-20(2)24(21(3)30(7,8)23-17-13-10-14-18-23)27(25(28)29-26(4,5)6)19-22-15-11-9-12-16-22/h9-18,20,24H,3,19H2,1-2,4-8H3/t24-/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate?
tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate has a molecular weight of 423.67 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate is sourced from PubChem (CID 11575431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).